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

C15H13BrClFO — CID 102863681

IUPAC2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1cccc(Cl)c1F)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClFO/c16-13-6-4-10(5-7-13)12(9-19)8-11-2-1-3-14(17)15(11)18/h1-7,12,19H,8-9H2
InChIKeySPDFKXGWLJRDOE-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.56
Rot. Bonds4

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

2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 102863681) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol
PubChem CID102863681
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1cccc(Cl)c1F)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClFO/c16-13-6-4-10(5-7-13)12(9-19)8-11-2-1-3-14(17)15(11)18/h1-7,12,19H,8-9H2
InChIKeySPDFKXGWLJRDOE-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

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Related Compounds

1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863663
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 102856630
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 102863692
3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 79437902
3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 102859054

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol (CID 102863681) is 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol is OCC(Cc1cccc(Cl)c1F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is SPDFKXGWLJRDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c16-13-6-4-10(5-7-13)12(9-19)8-11-2-1-3-14(17)15(11)18/h1-7,12,19H,8-9H2.
What are the key properties of 2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol?
2-(4-bromophenyl)-3-(3-chloro-2-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-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 102863681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).