3-methyl-4-phenylmethoxynaphthalen-1-ol

C18H16O2 — CID 12051652

IUPAC3-methyl-4-phenylmethoxynaphthalen-1-ol
SMILESCc1cc(O)c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C18H16O2/c1-13-11-17(19)15-9-5-6-10-16(15)18(13)20-12-14-7-3-2-4-8-14/h2-11,19H,12H2,1H3
InChIKeyVIMSCXCIYBZNIS-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.43
Rot. Bonds3

About 3-methyl-4-phenylmethoxynaphthalen-1-ol

3-methyl-4-phenylmethoxynaphthalen-1-ol (PubChem CID 12051652) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-4-phenylmethoxynaphthalen-1-ol.

Molecular Properties

Compound Name3-methyl-4-phenylmethoxynaphthalen-1-ol
PubChem CID12051652
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-methyl-4-phenylmethoxynaphthalen-1-ol
SMILESCc1cc(O)c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C18H16O2/c1-13-11-17(19)15-9-5-6-10-16(15)18(13)20-12-14-7-3-2-4-8-14/h2-11,19H,12H2,1H3
InChIKeyVIMSCXCIYBZNIS-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15652625
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3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
ethane;2-(3-hydroxy-5-methyl-4-phenylmethoxyphenyl)-2-(methylamino)acetic acid
CID 171562463
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol
CID 20749744
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylmethoxynaphthalen-1-ol?
The IUPAC name of 3-methyl-4-phenylmethoxynaphthalen-1-ol (CID 12051652) is 3-methyl-4-phenylmethoxynaphthalen-1-ol.
What is the SMILES notation for 3-methyl-4-phenylmethoxynaphthalen-1-ol?
The canonical SMILES for 3-methyl-4-phenylmethoxynaphthalen-1-ol is Cc1cc(O)c2ccccc2c1OCc1ccccc1.
What is the InChIKey of 3-methyl-4-phenylmethoxynaphthalen-1-ol?
The InChIKey is VIMSCXCIYBZNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-11-17(19)15-9-5-6-10-16(15)18(13)20-12-14-7-3-2-4-8-14/h2-11,19H,12H2,1H3.
What are the key properties of 3-methyl-4-phenylmethoxynaphthalen-1-ol?
3-methyl-4-phenylmethoxynaphthalen-1-ol has a molecular weight of 264.32 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylmethoxynaphthalen-1-ol is sourced from PubChem (CID 12051652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).