3-methylphenol;naphthalen-1-ol

C17H16O2 — CID 66623772

IUPAC3-methylphenol;naphthalen-1-ol
SMILESCc1cccc(O)c1.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C7H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-3-2-4-7(8)5-6/h1-7,11H;2-5,8H,1H3
InChIKeyQRGMDHQQBMZNKW-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.25
Rot. Bonds

About 3-methylphenol;naphthalen-1-ol

3-methylphenol;naphthalen-1-ol (PubChem CID 66623772) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-methylphenol;naphthalen-1-ol.

Molecular Properties

Compound Name3-methylphenol;naphthalen-1-ol
PubChem CID66623772
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-methylphenol;naphthalen-1-ol
SMILESCc1cccc(O)c1.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C7H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-3-2-4-7(8)5-6/h1-7,11H;2-5,8H,1H3
InChIKeyQRGMDHQQBMZNKW-UHFFFAOYSA-N
XLogP4.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylphenol;naphthalen-1-ol?
The IUPAC name of 3-methylphenol;naphthalen-1-ol (CID 66623772) is 3-methylphenol;naphthalen-1-ol.
What is the SMILES notation for 3-methylphenol;naphthalen-1-ol?
The canonical SMILES for 3-methylphenol;naphthalen-1-ol is Cc1cccc(O)c1.Oc1cccc2ccccc12.
What is the InChIKey of 3-methylphenol;naphthalen-1-ol?
The InChIKey is QRGMDHQQBMZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C7H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-3-2-4-7(8)5-6/h1-7,11H;2-5,8H,1H3.
What are the key properties of 3-methylphenol;naphthalen-1-ol?
3-methylphenol;naphthalen-1-ol has a molecular weight of 252.31 g/mol, XLogP of 4.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylphenol;naphthalen-1-ol is sourced from PubChem (CID 66623772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).