2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol

C14H11Br2ClO — CID 107978121

IUPAC2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2ClO/c15-11-6-10(7-12(16)8-11)14(18)5-9-2-1-3-13(17)4-9/h1-4,6-8,14,18H,5H2
InChIKeyCZJZOVNGMBCLHH-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.14
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol

2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol (PubChem CID 107978121) has the molecular formula C14H11Br2ClO and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
PubChem CID107978121
Molecular FormulaC14H11Br2ClO
Molecular Weight390.50 g/mol
Exact Mass387.89
IUPAC Name2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2ClO/c15-11-6-10(7-12(16)8-11)14(18)5-9-2-1-3-13(17)4-9/h1-4,6-8,14,18H,5H2
InChIKeyCZJZOVNGMBCLHH-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
CID 63750366
1-(7-bromo-1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)ethanol
CID 63895393
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114822934
1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol
CID 66056866
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol (CID 107978121) is 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol is OC(Cc1cccc(Cl)c1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol?
The InChIKey is CZJZOVNGMBCLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO/c15-11-6-10(7-12(16)8-11)14(18)5-9-2-1-3-13(17)4-9/h1-4,6-8,14,18H,5H2.
What are the key properties of 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol?
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol has a molecular weight of 390.50 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol is sourced from PubChem (CID 107978121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).