1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol

C16H16BrClO2 — CID 107947332

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H16BrClO2/c1-10-3-4-16(20-2)12(5-10)8-15(19)11-6-13(17)9-14(18)7-11/h3-7,9,15,19H,8H2,1-2H3
InChIKeyIJSAWYCVUGOBTJ-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.70
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 107947332) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID107947332
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H16BrClO2/c1-10-3-4-16(20-2)12(5-10)8-15(19)11-6-13(17)9-14(18)7-11/h3-7,9,15,19H,8H2,1-2H3
InChIKeyIJSAWYCVUGOBTJ-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-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083533
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(4-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 62160340
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(3,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanol
CID 63016213
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 107947332) is 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is IJSAWYCVUGOBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10-3-4-16(20-2)12(5-10)8-15(19)11-6-13(17)9-14(18)7-11/h3-7,9,15,19H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-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 1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 107947332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).