2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol

C21H20O2 — CID 174919827

IUPAC2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol
SMILESCc1cc(-c2ccccc2O)c(CO)c(C)c1-c1ccccc1
InChIInChI=1S/C21H20O2/c1-14-12-18(17-10-6-7-11-20(17)23)19(13-22)15(2)21(14)16-8-4-3-5-9-16/h3-12,22-23H,13H2,1-2H3
InChIKeyMOLAOLSQCCHKFO-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.84
Rot. Bonds3

About 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol

2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol (PubChem CID 174919827) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol
PubChem CID174919827
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol
SMILESCc1cc(-c2ccccc2O)c(CO)c(C)c1-c1ccccc1
InChIInChI=1S/C21H20O2/c1-14-12-18(17-10-6-7-11-20(17)23)19(13-22)15(2)21(14)16-8-4-3-5-9-16/h3-12,22-23H,13H2,1-2H3
InChIKeyMOLAOLSQCCHKFO-UHFFFAOYSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol?
The IUPAC name of 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol (CID 174919827) is 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol?
The canonical SMILES for 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol is Cc1cc(-c2ccccc2O)c(CO)c(C)c1-c1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol?
The InChIKey is MOLAOLSQCCHKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-14-12-18(17-10-6-7-11-20(17)23)19(13-22)15(2)21(14)16-8-4-3-5-9-16/h3-12,22-23H,13H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol?
2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol is sourced from PubChem (CID 174919827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).