1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol

C16H16BrClO2 — CID 115788606

IUPAC1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1ccc(Br)cc1C
InChIInChI=1S/C16H16BrClO2/c1-10-7-12(17)3-5-14(10)15(19)9-11-8-13(18)4-6-16(11)20-2/h3-8,15,19H,9H2,1-2H3
InChIKeyIXNKPLSFDFMXJM-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol

1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 115788606) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID115788606
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1ccc(Br)cc1C
InChIInChI=1S/C16H16BrClO2/c1-10-7-12(17)3-5-14(10)15(19)9-11-8-13(18)4-6-16(11)20-2/h3-8,15,19H,9H2,1-2H3
InChIKeyIXNKPLSFDFMXJM-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol (CID 115788606) is 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is IXNKPLSFDFMXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10-7-12(17)3-5-14(10)15(19)9-11-8-13(18)4-6-16(11)20-2/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 355.66 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 115788606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).