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

C15H13BrClFO — CID 112652949

IUPAC2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-5-7-12(16)8-6-11)9-10-3-2-4-13(18)14(10)17/h2-8,19H,9H2,1H3
InChIKeyXLQPQRLTALJBNG-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.69
Rot. Bonds3

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

2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol (PubChem CID 112652949) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
PubChem CID112652949
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-5-7-12(16)8-6-11)9-10-3-2-4-13(18)14(10)17/h2-8,19H,9H2,1H3
InChIKeyXLQPQRLTALJBNG-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 112653159
1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 112652973
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103047480
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106
1-(5-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65145030
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol (CID 112652949) is 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol is CC(O)(Cc1cccc(F)c1Cl)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol?
The InChIKey is XLQPQRLTALJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-15(19,11-5-7-12(16)8-6-11)9-10-3-2-4-13(18)14(10)17/h2-8,19H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol?
2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol has a molecular weight of 343.62 g/mol, XLogP of 4.69, 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-(2-chloro-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 112652949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).