1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol

C15H13BrCl2O — CID 115801912

IUPAC1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESCc1cc(Br)ccc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2O/c1-9-6-11(16)2-4-13(9)15(19)8-10-7-12(17)3-5-14(10)18/h2-7,15,19H,8H2,1H3
InChIKeyVVVMDTRJWMOOTP-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.34
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol

1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 115801912) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID115801912
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESCc1cc(Br)ccc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2O/c1-9-6-11(16)2-4-13(9)15(19)8-10-7-12(17)3-5-14(10)18/h2-7,15,19H,8H2,1H3
InChIKeyVVVMDTRJWMOOTP-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863002
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790756
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol (CID 115801912) is 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol is Cc1cc(Br)ccc1C(O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is VVVMDTRJWMOOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-6-11(16)2-4-13(9)15(19)8-10-7-12(17)3-5-14(10)18/h2-7,15,19H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 360.08 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 115801912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).