2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol

C15H16O2 — CID 3742978

IUPAC2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(Cc2ccccc2O)c(O)c1
InChIInChI=1S/C15H16O2/c1-10-7-11(2)13(15(17)8-10)9-12-5-3-4-6-14(12)16/h3-8,16-17H,9H2,1-2H3
InChIKeyTUWFNOBSLICJNV-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.31
Rot. Bonds2

About 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol

2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol (PubChem CID 3742978) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
PubChem CID3742978
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(Cc2ccccc2O)c(O)c1
InChIInChI=1S/C15H16O2/c1-10-7-11(2)13(15(17)8-10)9-12-5-3-4-6-14(12)16/h3-8,16-17H,9H2,1-2H3
InChIKeyTUWFNOBSLICJNV-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol (CID 3742978) is 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol is Cc1cc(C)c(Cc2ccccc2O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol?
The InChIKey is TUWFNOBSLICJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-7-11(2)13(15(17)8-10)9-12-5-3-4-6-14(12)16/h3-8,16-17H,9H2,1-2H3.
What are the key properties of 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol?
2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol has a molecular weight of 228.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol is sourced from PubChem (CID 3742978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).