2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol

C15H14BrClO — CID 63519474

IUPAC2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClO/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9,15,18H,8H2,1H3
InChIKeyRKMVPLGTPQMMSE-UHFFFAOYSA-N
MW325.63 g/mol
LogP4.69
Rot. Bonds3

About 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol

2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol (PubChem CID 63519474) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
PubChem CID63519474
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClO/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9,15,18H,8H2,1H3
InChIKeyRKMVPLGTPQMMSE-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803551
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081846
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
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2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63518260
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 107562190
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
1-(3-chloro-4-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822386
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol (CID 63519474) is 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol is Cc1ccc(C(O)Cc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
The InChIKey is RKMVPLGTPQMMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9,15,18H,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol?
2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol has a molecular weight of 325.63 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 63519474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).