2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol

C16H16BrClO2 — CID 115779493

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)cc(Cl)c2)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-10-5-12(9-13(18)6-10)15(19)8-11-3-4-16(20-2)14(17)7-11/h3-7,9,15,19H,8H2,1-2H3
InChIKeyRFXWWEOHZSXHRA-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.70
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol (PubChem CID 115779493) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
PubChem CID115779493
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)cc(Cl)c2)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-10-5-12(9-13(18)6-10)15(19)8-11-3-4-16(20-2)14(17)7-11/h3-7,9,15,19H,8H2,1-2H3
InChIKeyRFXWWEOHZSXHRA-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

2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216677
1-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81325192
2-(3-bromo-4-methoxyphenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 63895968
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol (CID 115779493) is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol is COc1ccc(CC(O)c2cc(C)cc(Cl)c2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol?
The InChIKey is RFXWWEOHZSXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10-5-12(9-13(18)6-10)15(19)8-11-3-4-16(20-2)14(17)7-11/h3-7,9,15,19H,8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)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 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol is sourced from PubChem (CID 115779493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).