1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol

C18H21BrO — CID 143647576

IUPAC1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccccc1CCC(O)c1cccc(Br)c1
InChIInChI=1S/C18H21BrO/c1-13(2)17-9-4-3-6-14(17)10-11-18(20)15-7-5-8-16(19)12-15/h3-9,12-13,18,20H,10-11H2,1-2H3
InChIKeyPLKMDWYERZPMIM-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.24
Rot. Bonds5

About 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol

1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol (PubChem CID 143647576) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol
PubChem CID143647576
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccccc1CCC(O)c1cccc(Br)c1
InChIInChI=1S/C18H21BrO/c1-13(2)17-9-4-3-6-14(17)10-11-18(20)15-7-5-8-16(19)12-15/h3-9,12-13,18,20H,10-11H2,1-2H3
InChIKeyPLKMDWYERZPMIM-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-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

1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)butan-1-ol
CID 18417756
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol (CID 143647576) is 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccccc1CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol?
The InChIKey is PLKMDWYERZPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-13(2)17-9-4-3-6-14(17)10-11-18(20)15-7-5-8-16(19)12-15/h3-9,12-13,18,20H,10-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol?
1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol has a molecular weight of 333.27 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 143647576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).