3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one

C24H23BrO2 — CID 66669284

IUPAC3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(CC(=O)c2cc(C)c(O)c(C)c2)c2ccc(Br)cc2)c1
InChIInChI=1S/C24H23BrO2/c1-15-5-4-6-19(11-15)22(18-7-9-21(25)10-8-18)14-23(26)20-12-16(2)24(27)17(3)13-20/h4-13,22,27H,14H2,1-3H3
InChIKeyPWAQOLXRQNSCGD-UHFFFAOYSA-N
MW423.35 g/mol
LogP6.48
Rot. Bonds5

About 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one

3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one (PubChem CID 66669284) has the molecular formula C24H23BrO2 and a molecular weight of 423.35 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
PubChem CID66669284
Molecular FormulaC24H23BrO2
Molecular Weight423.35 g/mol
Exact Mass422.09
IUPAC Name3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(CC(=O)c2cc(C)c(O)c(C)c2)c2ccc(Br)cc2)c1
InChIInChI=1S/C24H23BrO2/c1-15-5-4-6-19(11-15)22(18-7-9-21(25)10-8-18)14-23(26)20-12-16(2)24(27)17(3)13-20/h4-13,22,27H,14H2,1-3H3
InChIKeyPWAQOLXRQNSCGD-UHFFFAOYSA-N
XLogP6.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-1-(2,6-dichloro-4-pyridinyl)-3-phenylpropan-1-one
CID 87237114
(3S)-3-(4-fluorophenyl)-3-(3-methylphenyl)propanoic acid
CID 42073733
methyl 2-(4-bromophenyl)-4-(3-methylphenyl)-4-oxobutanoate
CID 3675113
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
1-(4-bromophenyl)-3-phenylbutan-1-one
CID 143974800
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
CID 67015677
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
CID 151406599
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
3-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]-4-hydroxychromen-2-one
CID 54706753

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one (CID 66669284) is 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one is Cc1cccc(C(CC(=O)c2cc(C)c(O)c(C)c2)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is PWAQOLXRQNSCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrO2/c1-15-5-4-6-19(11-15)22(18-7-9-21(25)10-8-18)14-23(26)20-12-16(2)24(27)17(3)13-20/h4-13,22,27H,14H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one?
3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 423.35 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 66669284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).