1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol

C14H10BrClF2O — CID 107538431

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H10BrClF2O/c15-13-10(5-6-11(17)14(13)18)12(19)7-8-1-3-9(16)4-2-8/h1-6,12,19H,7H2
InChIKeyHSSFIEVSMBNYEG-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.66
Rot. Bonds3

About 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol

1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol (PubChem CID 107538431) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
PubChem CID107538431
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H10BrClF2O/c15-13-10(5-6-11(17)14(13)18)12(19)7-8-1-3-9(16)4-2-8/h1-6,12,19H,7H2
InChIKeyHSSFIEVSMBNYEG-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 107538257
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 105399377
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
CID 107538484
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
CID 107538761
1-(2-bromo-3,4-difluorophenyl)-2-(2-chlorophenyl)sulfanylethanol
CID 107540962
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 107538340
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107538377
1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol
CID 107538296
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol (CID 107538431) is 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is HSSFIEVSMBNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-13-10(5-6-11(17)14(13)18)12(19)7-8-1-3-9(16)4-2-8/h1-6,12,19H,7H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol?
1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol has a molecular weight of 347.59 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 107538431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).