2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol

C15H14BrClO2 — CID 62790115

IUPAC2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClO2/c1-19-15-7-6-12(17)9-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9,14,18H,8H2,1H3
InChIKeyLFCWZWPFEQXKSK-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol

2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 62790115) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID62790115
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClO2/c1-19-15-7-6-12(17)9-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9,14,18H,8H2,1H3
InChIKeyLFCWZWPFEQXKSK-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115802739
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2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
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1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
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2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
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1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444
1-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-2-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol (CID 62790115) is 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is LFCWZWPFEQXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-19-15-7-6-12(17)9-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 341.63 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 62790115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).