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

C15H14BrFO — CID 79438156

IUPAC3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFO/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13,18H,9-10H2
InChIKeyMMHBPXLKSFUJRH-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.91
Rot. Bonds4

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

3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 79438156) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
PubChem CID79438156
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFO/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13,18H,9-10H2
InChIKeyMMHBPXLKSFUJRH-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 79438466
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
2-(4-bromophenyl)-3-sulfanylpropan-1-ol
CID 117245035
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863681

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol (CID 79438156) is 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol is OCC(Cc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is MMHBPXLKSFUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13,18H,9-10H2.
What are the key properties of 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol?
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 309.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 79438156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).