2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol

C16H18O2 — CID 102409883

IUPAC2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2c(C)cccc2CO)c(O)c1
InChIInChI=1S/C16H18O2/c1-10-7-12(3)16(14(18)8-10)15-11(2)5-4-6-13(15)9-17/h4-8,17-18H,9H2,1-3H3
InChIKeyQTLADYKKOGMDFL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.48
Rot. Bonds2

About 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol

2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol (PubChem CID 102409883) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol
PubChem CID102409883
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2c(C)cccc2CO)c(O)c1
InChIInChI=1S/C16H18O2/c1-10-7-12(3)16(14(18)8-10)15-11(2)5-4-6-13(15)9-17/h4-8,17-18H,9H2,1-3H3
InChIKeyQTLADYKKOGMDFL-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol (CID 102409883) is 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol is Cc1cc(C)c(-c2c(C)cccc2CO)c(O)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol?
The InChIKey is QTLADYKKOGMDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-7-12(3)16(14(18)8-10)15-11(2)5-4-6-13(15)9-17/h4-8,17-18H,9H2,1-3H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol?
2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol has a molecular weight of 242.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol is sourced from PubChem (CID 102409883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).