1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol

C14H11BrClFO — CID 103038952

IUPAC1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrClFO/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-13(17)12(16)6-9/h1-6,8,14,18H,7H2
InChIKeyPLHXFWJWPZWLDY-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.52
Rot. Bonds3

About 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol

1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 103038952) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
PubChem CID103038952
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrClFO/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-13(17)12(16)6-9/h1-6,8,14,18H,7H2
InChIKeyPLHXFWJWPZWLDY-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2-chloro-1-fluorobenzene
CID 103042042
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol (CID 103038952) is 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol is OC(Cc1ccc(F)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is PLHXFWJWPZWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-13(17)12(16)6-9/h1-6,8,14,18H,7H2.
What are the key properties of 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 329.60 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 103038952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).