2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol

C15H13BrClFO — CID 107895001

IUPAC2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrClFO/c16-13-4-2-1-3-12(13)11(9-19)7-10-5-6-14(17)15(18)8-10/h1-6,8,11,19H,7,9H2
InChIKeyUEJPLAITGGIXFV-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.56
Rot. Bonds4

About 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol

2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol (PubChem CID 107895001) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
PubChem CID107895001
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrClFO/c16-13-4-2-1-3-12(13)11(9-19)7-10-5-6-14(17)15(18)8-10/h1-6,8,11,19H,7,9H2
InChIKeyUEJPLAITGGIXFV-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol (CID 107895001) is 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol is OCC(Cc1ccc(Cl)c(F)c1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol?
The InChIKey is UEJPLAITGGIXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c16-13-4-2-1-3-12(13)11(9-19)7-10-5-6-14(17)15(18)8-10/h1-6,8,11,19H,7,9H2.
What are the key properties of 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol?
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol has a molecular weight of 343.62 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 107895001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).