1-(4-bromo-3-fluorophenyl)-1-phenylethanol

C14H12BrFO — CID 66915422

IUPAC1-(4-bromo-3-fluorophenyl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrFO/c1-14(17,10-5-3-2-4-6-10)11-7-8-12(15)13(16)9-11/h2-9,17H,1H3
InChIKeySKHDOZCRBRJDPK-UHFFFAOYSA-N
MW295.15 g/mol
LogP3.84
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-1-phenylethanol

1-(4-bromo-3-fluorophenyl)-1-phenylethanol (PubChem CID 66915422) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-1-phenylethanol
PubChem CID66915422
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrFO/c1-14(17,10-5-3-2-4-6-10)11-7-8-12(15)13(16)9-11/h2-9,17H,1H3
InChIKeySKHDOZCRBRJDPK-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-1-phenylethanol
CID 66915599
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol
CID 66915395
2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
CID 155821579
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185
(1S)-1-(3,4-diaminophenyl)-1-phenylethanol
CID 124563063
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
1-(3-bromo-5-methylphenyl)-1-phenylethanol
CID 171366314
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
CID 106941192
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
1-(4-fluoro-3-methylphenyl)-1-(3-fluorophenyl)ethanol
CID 62787951

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-phenylethanol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-phenylethanol (CID 66915422) is 1-(4-bromo-3-fluorophenyl)-1-phenylethanol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-1-phenylethanol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-1-phenylethanol is CC(O)(c1ccccc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-1-phenylethanol?
The InChIKey is SKHDOZCRBRJDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-14(17,10-5-3-2-4-6-10)11-7-8-12(15)13(16)9-11/h2-9,17H,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-1-phenylethanol?
1-(4-bromo-3-fluorophenyl)-1-phenylethanol has a molecular weight of 295.15 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-1-phenylethanol is sourced from PubChem (CID 66915422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).