2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol

C16H17BrO — CID 79443372

IUPAC2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrO/c1-12-5-7-13(8-6-12)9-15(11-18)14-3-2-4-16(17)10-14/h2-8,10,15,18H,9,11H2,1H3
InChIKeyJCTHAFFIOPUAJW-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.08
Rot. Bonds4

About 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol

2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 79443372) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID79443372
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrO/c1-12-5-7-13(8-6-12)9-15(11-18)14-3-2-4-16(17)10-14/h2-8,10,15,18H,9,11H2,1H3
InChIKeyJCTHAFFIOPUAJW-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 114349841
1-[3-bromo-2-(3-bromophenyl)propyl]-3,5-dimethylbenzene
CID 79430352
2-(3-bromophenyl)-4-methylsulfonylbutan-1-ol
CID 79442931
2-(3-bromophenyl)-4-ethylsulfonylbutan-1-ol
CID 79442851
4-amino-2-(3-bromophenyl)butan-1-ol
CID 115045172
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
CID 79443229
2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 79431157
3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 103041993
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
CID 79443451
3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 105410820

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol (CID 79443372) is 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CC(CO)c2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is JCTHAFFIOPUAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-12-5-7-13(8-6-12)9-15(11-18)14-3-2-4-16(17)10-14/h2-8,10,15,18H,9,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol?
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 305.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 79443372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).