1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol

C16H16BrClO — CID 106867244

IUPAC1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-11-2-5-13(16(18)8-11)10-15(19)9-12-3-6-14(17)7-4-12/h2-8,15,19H,9-10H2,1H3
InChIKeyLCHRUVAHPUMNKC-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.56
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol

1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol (PubChem CID 106867244) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
PubChem CID106867244
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-11-2-5-13(16(18)8-11)10-15(19)9-12-3-6-14(17)7-4-12/h2-8,15,19H,9-10H2,1H3
InChIKeyLCHRUVAHPUMNKC-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-[2-(bromomethyl)-3-(4-chlorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870696
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol (CID 106867244) is 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol?
The InChIKey is LCHRUVAHPUMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-11-2-5-13(16(18)8-11)10-15(19)9-12-3-6-14(17)7-4-12/h2-8,15,19H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol?
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol has a molecular weight of 339.66 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 106867244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).