1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol

C15H13BrCl2O — CID 107307685

IUPAC1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(Cl)c2Cl)cc1Br
InChIInChI=1S/C15H13BrCl2O/c1-9-5-6-10(7-12(9)16)14(19)8-11-3-2-4-13(17)15(11)18/h2-7,14,19H,8H2,1H3
InChIKeyXNTFHZIDKYBKHD-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.34
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol

1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol (PubChem CID 107307685) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
PubChem CID107307685
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(Cl)c2Cl)cc1Br
InChIInChI=1S/C15H13BrCl2O/c1-9-5-6-10(7-12(9)16)14(19)8-11-3-2-4-13(17)15(11)18/h2-7,14,19H,8H2,1H3
InChIKeyXNTFHZIDKYBKHD-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-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
1-(2-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307604
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
1-(2-bromo-5-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312495
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
CID 107307427
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 107307527
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol (CID 107307685) is 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol is Cc1ccc(C(O)Cc2cccc(Cl)c2Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
The InChIKey is XNTFHZIDKYBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-5-6-10(7-12(9)16)14(19)8-11-3-2-4-13(17)15(11)18/h2-7,14,19H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
1-(3-bromo-4-methylphenyl)-2-(2,3-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-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol is sourced from PubChem (CID 107307685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).