4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol

C21H20O4 — CID 138718814

IUPAC4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol
SMILESCc1cc(Cc2ccccc2O)c(O)c(Cc2ccc(O)cc2O)c1
InChIInChI=1S/C21H20O4/c1-13-8-16(10-14-4-2-3-5-19(14)23)21(25)17(9-13)11-15-6-7-18(22)12-20(15)24/h2-9,12,22-25H,10-11H2,1H3
InChIKeyYVQDIHJQYXEICY-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.00
Rot. Bonds4

About 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol

4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol (PubChem CID 138718814) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol
PubChem CID138718814
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol
SMILESCc1cc(Cc2ccccc2O)c(O)c(Cc2ccc(O)cc2O)c1
InChIInChI=1S/C21H20O4/c1-13-8-16(10-14-4-2-3-5-19(14)23)21(25)17(9-13)11-15-6-7-18(22)12-20(15)24/h2-9,12,22-25H,10-11H2,1H3
InChIKeyYVQDIHJQYXEICY-UHFFFAOYSA-N
XLogP4.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol
CID 88558990
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 86005366
2,6-bis[(2,4-dihydroxyphenyl)methyl]-4-methylphenolate;(4-methoxyphenyl)-triphenylazanium
CID 153401536
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
CID 157135640
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 3742978
4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
CID 15095946
3-[(2,4-dihydroxyphenyl)methyl]-1H-pyrrole-2,5-diol
CID 123591745
2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19706004
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 18949647
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol (CID 138718814) is 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol is Cc1cc(Cc2ccccc2O)c(O)c(Cc2ccc(O)cc2O)c1.
What is the InChIKey of 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol?
The InChIKey is YVQDIHJQYXEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-13-8-16(10-14-4-2-3-5-19(14)23)21(25)17(9-13)11-15-6-7-18(22)12-20(15)24/h2-9,12,22-25H,10-11H2,1H3.
What are the key properties of 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol?
4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol has a molecular weight of 336.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol is sourced from PubChem (CID 138718814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).