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

C17H18BrClO2 — CID 63428538

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H18BrClO2/c1-10-4-5-12(6-11(10)2)7-16(20)14-8-13(19)9-15(18)17(14)21-3/h4-6,8-9,16,20H,7H2,1-3H3
InChIKeyWMIURLFIDFWCBY-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.00
Rot. Bonds4

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

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 63428538) has the molecular formula C17H18BrClO2 and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID63428538
Molecular FormulaC17H18BrClO2
Molecular Weight369.69 g/mol
Exact Mass368.02
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H18BrClO2/c1-10-4-5-12(6-11(10)2)7-16(20)14-8-13(19)9-15(18)17(14)21-3/h4-6,8-9,16,20H,7H2,1-3H3
InChIKeyWMIURLFIDFWCBY-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

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Related Compounds

1-bromo-5-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methoxybenzene
CID 63431203
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 81117922
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol (CID 63428538) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol is COc1c(Br)cc(Cl)cc1C(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is WMIURLFIDFWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO2/c1-10-4-5-12(6-11(10)2)7-16(20)14-8-13(19)9-15(18)17(14)21-3/h4-6,8-9,16,20H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)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-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 63428538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).