phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone

C25H18O4 — CID 172846091

IUPACphenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone
SMILESO=C(c1ccccc1)c1c(O)c(O)c(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H18O4/c26-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(27)25(29)24(21)28/h1-15,27-29H
InChIKeyXLEQTTKMXIZYSJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.37
Rot. Bonds4

About phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone

phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone (PubChem CID 172846091) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone
PubChem CID172846091
Molecular FormulaC25H18O4
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Namephenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone
SMILESO=C(c1ccccc1)c1c(O)c(O)c(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H18O4/c26-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(27)25(29)24(21)28/h1-15,27-29H
InChIKeyXLEQTTKMXIZYSJ-UHFFFAOYSA-N
XLogP5.37
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanone
CID 3102
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
2-benzoyl-3,4,5,6-tetrahydroxybenzenesulfonic acid
CID 22357386
phenyl-(4-phenylphenyl)methanone
CID 155775877
5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54695653
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
(2,3-diazido-4,5,6-trihydroxyphenyl)-phenylmethanone
CID 150802254
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
4,5,6-triphenylbenzene-1,2,3-tricarboxylic acid
CID 22165122

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone?
The IUPAC name of phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone (CID 172846091) is phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone.
What is the SMILES notation for phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone?
The canonical SMILES for phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone is O=C(c1ccccc1)c1c(O)c(O)c(O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone?
The InChIKey is XLEQTTKMXIZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O4/c26-22(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(27)25(29)24(21)28/h1-15,27-29H.
What are the key properties of phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone?
phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone has a molecular weight of 382.42 g/mol, XLogP of 5.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone is sourced from PubChem (CID 172846091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).