1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol

C15H13BrClFO — CID 55096280

IUPAC1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrClFO/c16-12-3-6-15(18)11(8-12)9-14(19)7-10-1-4-13(17)5-2-10/h1-6,8,14,19H,7,9H2
InChIKeyYMLZSVBDQVBBKM-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.39
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol

1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol (PubChem CID 55096280) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
PubChem CID55096280
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrClFO/c16-12-3-6-15(18)11(8-12)9-14(19)7-10-1-4-13(17)5-2-10/h1-6,8,14,19H,7,9H2
InChIKeyYMLZSVBDQVBBKM-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
CID 55095424
1-(5-bromo-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135556
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601604
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-ol
CID 62607672
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol (CID 55096280) is 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol is OC(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol?
The InChIKey is YMLZSVBDQVBBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c16-12-3-6-15(18)11(8-12)9-14(19)7-10-1-4-13(17)5-2-10/h1-6,8,14,19H,7,9H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol?
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol has a molecular weight of 343.62 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol is sourced from PubChem (CID 55096280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).