[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol

C22H22O3 — CID 141218229

IUPAC[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol
SMILESCOc1cc(-c2ccccc2)c(-c2ccccc2CO)c(C)c1CO
InChIInChI=1S/C22H22O3/c1-15-20(14-24)21(25-2)12-19(16-8-4-3-5-9-16)22(15)18-11-7-6-10-17(18)13-23/h3-12,23-24H,13-14H2,1-2H3
InChIKeyXERGULKARZHICE-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.32
Rot. Bonds5

About [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol

[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol (PubChem CID 141218229) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol
PubChem CID141218229
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol
SMILESCOc1cc(-c2ccccc2)c(-c2ccccc2CO)c(C)c1CO
InChIInChI=1S/C22H22O3/c1-15-20(14-24)21(25-2)12-19(16-8-4-3-5-9-16)22(15)18-11-7-6-10-17(18)13-23/h3-12,23-24H,13-14H2,1-2H3
InChIKeyXERGULKARZHICE-UHFFFAOYSA-N
XLogP4.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
CID 44578876
1-(hydroxymethyl)-2,4-dimethoxyanthracene-9,10-dione
CID 86099558
(5-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571502
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[2-(hydroxymethyl)-3,5-dimethyl-4-phenylphenyl]phenol
CID 174919827
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
CID 86172085
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
CID 10062032
(2,3,4-trimethyl-5-phenylphenyl)methanol
CID 87491208
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375

Frequently Asked Questions

What is the IUPAC name of [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol?
The IUPAC name of [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol (CID 141218229) is [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol.
What is the SMILES notation for [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol?
The canonical SMILES for [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol is COc1cc(-c2ccccc2)c(-c2ccccc2CO)c(C)c1CO.
What is the InChIKey of [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol?
The InChIKey is XERGULKARZHICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-15-20(14-24)21(25-2)12-19(16-8-4-3-5-9-16)22(15)18-11-7-6-10-17(18)13-23/h3-12,23-24H,13-14H2,1-2H3.
What are the key properties of [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol?
[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol has a molecular weight of 334.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol is sourced from PubChem (CID 141218229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).