2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol

C17H19BrO — CID 63406671

IUPAC2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(C)(O)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H19BrO/c1-12-4-5-14(10-13(12)2)11-17(3,19)15-6-8-16(18)9-7-15/h4-10,19H,11H2,1-3H3
InChIKeyOVEMHRASKADHFS-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.52
Rot. Bonds3

About 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol

2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 63406671) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
PubChem CID63406671
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(C)(O)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H19BrO/c1-12-4-5-14(10-13(12)2)11-17(3,19)15-6-8-16(18)9-7-15/h4-10,19H,11H2,1-3H3
InChIKeyOVEMHRASKADHFS-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(3,4-dimethylphenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481701
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene
CID 79444727
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146285
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol
CID 145135906
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146449
3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
CID 66037437
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol (CID 63406671) is 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(C)(O)c2ccc(Br)cc2)cc1C.
What is the InChIKey of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is OVEMHRASKADHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-12-4-5-14(10-13(12)2)11-17(3,19)15-6-8-16(18)9-7-15/h4-10,19H,11H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol?
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 319.24 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 63406671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).