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

C17H18BrClO2 — CID 114330012

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H18BrClO2/c1-10-6-12(7-11(2)17(10)18)15(20)9-13-8-14(19)4-5-16(13)21-3/h4-8,15,20H,9H2,1-3H3
InChIKeyKQQDTBVNAHVAAL-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.00
Rot. Bonds4

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

1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 114330012) has the molecular formula C17H18BrClO2 and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID114330012
Molecular FormulaC17H18BrClO2
Molecular Weight369.69 g/mol
Exact Mass368.02
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H18BrClO2/c1-10-6-12(7-11(2)17(10)18)15(20)9-13-8-14(19)4-5-16(13)21-3/h4-8,15,20H,9H2,1-3H3
InChIKeyKQQDTBVNAHVAAL-UHFFFAOYSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 106886215
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(4-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 62160340
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol (CID 114330012) is 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is KQQDTBVNAHVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO2/c1-10-6-12(7-11(2)17(10)18)15(20)9-13-8-14(19)4-5-16(13)21-3/h4-8,15,20H,9H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol?
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 369.69 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 114330012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).