(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol

CAS No.：

Cat. No.: SC25931

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Product Name :(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol

Cat. No.: :SC25931

Purity / Specification :—

CAS No. :945613-46-7

MDL No. :MFCD30267469

Molecular Formula :C₁₁H₁₄O

LogP :2.30

Molecular Weight :162.23

TPSA :20.2

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1ccc2c(c1)[C@@H](O)[C@@H](C)C2

Melting Point :—

InChI Key : :ODZAJPZIKWGMCJ-KWQFWETISA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 162.2 Da

LogP ≤ 5✓ 2.30

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

62/100

Moderate — typical building block

Predicted LogP

2.30log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 20.2Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.