3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol

C22H22O4 — CID 91542987

IUPAC3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1
InChIInChI=1S/C22H22O4/c1-26-20-13-17(8-5-15-3-2-4-19(24)11-15)21(22(25)14-20)12-16-6-9-18(23)10-7-16/h2-4,6-7,9-11,13-14,23-25H,5,8,12H2,1H3
InChIKeyYDUHMWDSDQEXHH-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.19
Rot. Bonds6

About 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol

3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol (PubChem CID 91542987) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
PubChem CID91542987
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1
InChIInChI=1S/C22H22O4/c1-26-20-13-17(8-5-15-3-2-4-19(24)11-15)21(22(25)14-20)12-16-6-9-18(23)10-7-16/h2-4,6-7,9-11,13-14,23-25H,5,8,12H2,1H3
InChIKeyYDUHMWDSDQEXHH-UHFFFAOYSA-N
XLogP4.19
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
The IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol (CID 91542987) is 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol is COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
The InChIKey is YDUHMWDSDQEXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-26-20-13-17(8-5-15-3-2-4-19(24)11-15)21(22(25)14-20)12-16-6-9-18(23)10-7-16/h2-4,6-7,9-11,13-14,23-25H,5,8,12H2,1H3.
What are the key properties of 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol?
3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol has a molecular weight of 350.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxyphenol is sourced from PubChem (CID 91542987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).