4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol

C19H16O4 — CID 134202922

IUPAC4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
SMILESOc1ccc(C(c2ccccc2)c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C19H16O4/c20-15-8-6-13(10-17(15)22)19(12-4-2-1-3-5-12)14-7-9-16(21)18(23)11-14/h1-11,19-23H
InChIKeyFZTIGDAUXHEPNS-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.69
Rot. Bonds3

About 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol

4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol (PubChem CID 134202922) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
PubChem CID134202922
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
SMILESOc1ccc(C(c2ccccc2)c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C19H16O4/c20-15-8-6-13(10-17(15)22)19(12-4-2-1-3-5-12)14-7-9-16(21)18(23)11-14/h1-11,19-23H
InChIKeyFZTIGDAUXHEPNS-UHFFFAOYSA-N
XLogP3.69
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol
CID 139760597
anthracene;bis(4-[1-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol);4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol;ethane;naphthalene
CID 162085625
4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol
CID 140882520
2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
CID 88594631
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
4-[bis(4-hydroxy-3-propylphenyl)methyl]benzene-1,2-diol
CID 67315319
4-benzhydrylbenzene-1,2-diamine
CID 154281140
2-(3,4-dihydroxyphenyl)-N-phenylpropanamide
CID 19745950
4-[4-(3,4-dihydroxyphenyl)-4-phenylbutyl]benzene-1,2-diol
CID 57182944

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol?
The IUPAC name of 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol (CID 134202922) is 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol is Oc1ccc(C(c2ccccc2)c2ccc(O)c(O)c2)cc1O.
What is the InChIKey of 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol?
The InChIKey is FZTIGDAUXHEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c20-15-8-6-13(10-17(15)22)19(12-4-2-1-3-5-12)14-7-9-16(21)18(23)11-14/h1-11,19-23H.
What are the key properties of 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol?
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol has a molecular weight of 308.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol is sourced from PubChem (CID 134202922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).