2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol

C16H16BrClO — CID 106866065

IUPAC2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(C)(O)c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-11-7-8-12(15(18)9-11)10-16(2,19)13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3
InChIKeyGWFMEWJAETZVIA-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.86
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol

2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol (PubChem CID 106866065) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
PubChem CID106866065
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(C)(O)c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-11-7-8-12(15(18)9-11)10-16(2,19)13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3
InChIKeyGWFMEWJAETZVIA-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
CID 102856814
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-2-ol
CID 65145046
1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol
CID 106866102
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
CID 105402450
2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene
CID 106870780
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672
2-(2-chlorophenyl)-1-(2-methylphenyl)propan-2-ol
CID 54919421
3-(2-chloro-4-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 106866435
2-(3-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]propane-1,3-diol
CID 106870763

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol (CID 106866065) is 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol is Cc1ccc(CC(C)(O)c2ccccc2Br)c(Cl)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol?
The InChIKey is GWFMEWJAETZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-11-7-8-12(15(18)9-11)10-16(2,19)13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol?
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol has a molecular weight of 339.66 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 106866065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).