1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol

C17H19BrO2 — CID 115370058

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H19BrO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyITILAOXOXYTBRQ-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol

1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 115370058) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID115370058
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H19BrO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyITILAOXOXYTBRQ-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 81117922
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol (CID 115370058) is 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol is COc1cc(Br)ccc1C(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is ITILAOXOXYTBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 335.24 g/mol, XLogP of 4.35, 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-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 115370058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).