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

C25H20O4 — CID 59253853

IUPAC4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
SMILESOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C25H20O4/c26-21-13-11-19(15-23(21)28)25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-12-14-22(27)24(29)16-20/h1-16,26-29H
InChIKeyXJTIGCYCYMOIOH-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.89
Rot. Bonds4

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

4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol (PubChem CID 59253853) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
PubChem CID59253853
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
SMILESOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C25H20O4/c26-21-13-11-19(15-23(21)28)25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-12-14-22(27)24(29)16-20/h1-16,26-29H
InChIKeyXJTIGCYCYMOIOH-UHFFFAOYSA-N
XLogP4.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.89
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-hydroxy-5-tritylbenzoic acid;zinc
CID 70592363
4-tert-butylbenzene-1,2-diol;phenol
CID 160621546
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
CID 175980360
CID 175980360
4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol
CID 134267119
(E)-5-[4-[[4-[(E)-4-carboxy-2-oxobut-3-enyl]phenyl]-bis(4-hydroxyphenyl)methyl]phenyl]-4-oxopent-2-enoic acid;(E)-5-[4-[[4-[(E)-4-carboxy-2-oxobut-3-enyl]phenyl]-diphenylmethyl]phenyl]-4-oxopent-2-enoic acid;(E)-5-[4-[[4-[(E)-4-carboxy-2-oxobut-3-enyl]phenyl]-(4-hydroxyphenyl)-(3,4,5-trihydroxyphenyl)methyl]phenyl]-4-oxopent-2-enoic acid
CID 159438290
1-chloro-4-tritylbenzene
CID 14737307
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
CID 140824221
1-chloro-3-tritylbenzene
CID 14737306

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol?
The IUPAC name of 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol (CID 59253853) is 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol is Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)c(O)c2)cc1O.
What is the InChIKey of 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol?
The InChIKey is XJTIGCYCYMOIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c26-21-13-11-19(15-23(21)28)25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-12-14-22(27)24(29)16-20/h1-16,26-29H.
What are the key properties of 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol?
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol has a molecular weight of 384.43 g/mol, XLogP of 4.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol is sourced from PubChem (CID 59253853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).