1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol

C15H13BrCl2O2 — CID 63427922

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)Cc1ccccc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-20-15-11(7-10(17)8-12(15)16)14(19)6-9-4-2-3-5-13(9)18/h2-5,7-8,14,19H,6H2,1H3
InChIKeyUTIOFOYOAONXHG-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.04
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol (PubChem CID 63427922) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
PubChem CID63427922
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)Cc1ccccc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-20-15-11(7-10(17)8-12(15)16)14(19)6-9-4-2-3-5-13(9)18/h2-5,7-8,14,19H,6H2,1H3
InChIKeyUTIOFOYOAONXHG-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63428538
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
CID 63430919
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol (CID 63427922) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol is COc1c(Br)cc(Cl)cc1C(O)Cc1ccccc1Cl.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol?
The InChIKey is UTIOFOYOAONXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-20-15-11(7-10(17)8-12(15)16)14(19)6-9-4-2-3-5-13(9)18/h2-5,7-8,14,19H,6H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol has a molecular weight of 376.08 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol is sourced from PubChem (CID 63427922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).