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

C22H22O4 — CID 102316541

IUPAC5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol
SMILESCOc1cc(CCc2cccc(O)c2)cc(O)c1Cc1ccc(O)cc1
InChIInChI=1S/C22H22O4/c1-26-22-14-17(6-5-15-3-2-4-19(24)11-15)13-21(25)20(22)12-16-7-9-18(23)10-8-16/h2-4,7-11,13-14,23-25H,5-6,12H2,1H3
InChIKeyBVFRTQOQLFIUFZ-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.19
Rot. Bonds6

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

5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol (PubChem CID 102316541) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol.

Molecular Properties

Compound Name5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol
PubChem CID102316541
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol
SMILESCOc1cc(CCc2cccc(O)c2)cc(O)c1Cc1ccc(O)cc1
InChIInChI=1S/C22H22O4/c1-26-22-14-17(6-5-15-3-2-4-19(24)11-15)13-21(25)20(22)12-16-7-9-18(23)10-8-16/h2-4,7-11,13-14,23-25H,5-6,12H2,1H3
InChIKeyBVFRTQOQLFIUFZ-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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol?
The IUPAC name of 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol (CID 102316541) is 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol.
What is the SMILES notation for 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol?
The canonical SMILES for 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol is COc1cc(CCc2cccc(O)c2)cc(O)c1Cc1ccc(O)cc1.
What is the InChIKey of 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol?
The InChIKey is BVFRTQOQLFIUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-26-22-14-17(6-5-15-3-2-4-19(24)11-15)13-21(25)20(22)12-16-7-9-18(23)10-8-16/h2-4,7-11,13-14,23-25H,5-6,12H2,1H3.
What are the key properties of 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol?
5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-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 5-[2-(3-hydroxyphenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]-3-methoxyphenol is sourced from PubChem (CID 102316541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).