[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone

C29H24O3 — CID 118052054

IUPAC[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone
SMILESCC(C)c1ccc(-c2cccc(C(=O)c3ccc(O)cc3)c2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C29H24O3/c1-19(2)22-13-16-26(27(18-22)29(32)20-7-4-3-5-8-20)23-9-6-10-24(17-23)28(31)21-11-14-25(30)15-12-21/h3-19,30H,1-2H3
InChIKeyMPCUJRJPUZROAY-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.64
Rot. Bonds6

About [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone

[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone (PubChem CID 118052054) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone
PubChem CID118052054
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone
SMILESCC(C)c1ccc(-c2cccc(C(=O)c3ccc(O)cc3)c2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C29H24O3/c1-19(2)22-13-16-26(27(18-22)29(32)20-7-4-3-5-8-20)23-9-6-10-24(17-23)28(31)21-11-14-25(30)15-12-21/h3-19,30H,1-2H3
InChIKeyMPCUJRJPUZROAY-UHFFFAOYSA-N
XLogP6.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
2-phenyl-5-propan-2-ylbenzohydrazide
CID 162373085
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070
[4-(2-benzoyl-5-hydroxyphenyl)phenyl]-phenylmethanone
CID 121317125
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
1-[3-(3-benzoyl-4-methyl-7-propan-2-ylazulene-1-carbonyl)-8-methyl-5-propan-2-ylazulen-1-yl]ethanone
CID 102042066
methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate
CID 56850366
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619

Frequently Asked Questions

What is the IUPAC name of [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone (CID 118052054) is [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone is CC(C)c1ccc(-c2cccc(C(=O)c3ccc(O)cc3)c2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone?
The InChIKey is MPCUJRJPUZROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O3/c1-19(2)22-13-16-26(27(18-22)29(32)20-7-4-3-5-8-20)23-9-6-10-24(17-23)28(31)21-11-14-25(30)15-12-21/h3-19,30H,1-2H3.
What are the key properties of [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone?
[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone has a molecular weight of 420.51 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 118052054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).