2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol

C15H12BrCl3O — CID 82779284

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
SMILESCC(O)(Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H12BrCl3O/c1-15(20,11-6-5-9(16)7-14(11)19)8-10-12(17)3-2-4-13(10)18/h2-7,20H,8H2,1H3
InChIKeyUXUGMRREKSFZLV-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.86
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol

2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol (PubChem CID 82779284) has the molecular formula C15H12BrCl3O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
PubChem CID82779284
Molecular FormulaC15H12BrCl3O
Molecular Weight394.52 g/mol
Exact Mass391.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
SMILESCC(O)(Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H12BrCl3O/c1-15(20,11-6-5-9(16)7-14(11)19)8-10-12(17)3-2-4-13(10)18/h2-7,20H,8H2,1H3
InChIKeyUXUGMRREKSFZLV-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
CID 83157267
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 82776853
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672
2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 82779028
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol (CID 82779284) is 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol is CC(O)(Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol?
The InChIKey is UXUGMRREKSFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl3O/c1-15(20,11-6-5-9(16)7-14(11)19)8-10-12(17)3-2-4-13(10)18/h2-7,20H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol?
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol has a molecular weight of 394.52 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 82779284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).