5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol

C22H22O4 — CID 174989705

IUPAC5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol
SMILESCOc1cc(CCc2ccccc2Cc2cc(O)cc(O)c2)ccc1O
InChIInChI=1S/C22H22O4/c1-26-22-13-15(7-9-21(22)25)6-8-17-4-2-3-5-18(17)10-16-11-19(23)14-20(24)12-16/h2-5,7,9,11-14,23-25H,6,8,10H2,1H3
InChIKeyRQVBXKYAILWHQO-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.19
Rot. Bonds6

About 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol

5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol (PubChem CID 174989705) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol
PubChem CID174989705
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol
SMILESCOc1cc(CCc2ccccc2Cc2cc(O)cc(O)c2)ccc1O
InChIInChI=1S/C22H22O4/c1-26-22-13-15(7-9-21(22)25)6-8-17-4-2-3-5-18(17)10-16-11-19(23)14-20(24)12-16/h2-5,7,9,11-14,23-25H,6,8,10H2,1H3
InChIKeyRQVBXKYAILWHQO-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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Related Compounds

ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
CID 175936648
CID 175936648
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
CID 172870617
4-bromo-5-[[2-[(4-hydroxyphenyl)methyl]phenyl]methyl]-2-methoxyphenol
CID 16638007

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol?
The IUPAC name of 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol (CID 174989705) is 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol.
What is the SMILES notation for 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol?
The canonical SMILES for 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol is COc1cc(CCc2ccccc2Cc2cc(O)cc(O)c2)ccc1O.
What is the InChIKey of 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol?
The InChIKey is RQVBXKYAILWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-26-22-13-15(7-9-21(22)25)6-8-17-4-2-3-5-18(17)10-16-11-19(23)14-20(24)12-16/h2-5,7,9,11-14,23-25H,6,8,10H2,1H3.
What are the key properties of 5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol?
5-[[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol 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-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]benzene-1,3-diol is sourced from PubChem (CID 174989705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).