7-(hydroxymethyl)naphthalen-1-ol
CAS No.：
Cat. No.: SC18037
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Product Name :7-(hydroxymethyl)naphthalen-1-ol
Cat. No.: :SC18037
Purity / Specification :—
CAS No. :1261867-28-0
MDL No. :MFCD18410095
Molecular Formula :C11H10O2
LogP :2.00
Molecular Weight :174.20
TPSA :40.5
Category :Building Blocks
HSN Code :—
SMILES Code :OCc1ccc2cccc(O)c2c1
Melting Point :—
InChI Key : :LOXZOVQBTCFTOJ-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 174.2 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 2
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 40.5Ų · 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.