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

C15H13BrClFO — CID 79437902

IUPAC3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1cc(F)ccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClFO/c16-15-6-5-14(18)8-11(15)7-12(9-19)10-1-3-13(17)4-2-10/h1-6,8,12,19H,7,9H2
InChIKeyVOUMXHPAKJNFHY-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.56
Rot. Bonds4

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

3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol (PubChem CID 79437902) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
PubChem CID79437902
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1cc(F)ccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClFO/c16-15-6-5-14(18)8-11(15)7-12(9-19)10-1-3-13(17)4-2-10/h1-6,8,12,19H,7,9H2
InChIKeyVOUMXHPAKJNFHY-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

2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol (CID 79437902) is 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol is OCC(Cc1cc(F)ccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is VOUMXHPAKJNFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c16-15-6-5-14(18)8-11(15)7-12(9-19)10-1-3-13(17)4-2-10/h1-6,8,12,19H,7,9H2.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol?
3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)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 3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 79437902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).