1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol

C15H13BrCl2O — CID 60798840

IUPAC1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1cccc(Br)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2O/c16-12-3-1-2-10(6-12)7-14(19)8-11-4-5-13(17)9-15(11)18/h1-6,9,14,19H,7-8H2
InChIKeyMZPVAEJVIMZFFA-UHFFFAOYSA-N
MW360.08 g/mol
LogP4.90
Rot. Bonds4

About 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol

1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol (PubChem CID 60798840) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
PubChem CID60798840
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1cccc(Br)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2O/c16-12-3-1-2-10(6-12)7-14(19)8-11-4-5-13(17)9-15(11)18/h1-6,9,14,19H,7-8H2
InChIKeyMZPVAEJVIMZFFA-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 79701916
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
2-(3-bromophenyl)-1-(2-chlorophenyl)ethanol
CID 61029924
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol (CID 60798840) is 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol is OC(Cc1cccc(Br)c1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The InChIKey is MZPVAEJVIMZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c16-12-3-1-2-10(6-12)7-14(19)8-11-4-5-13(17)9-15(11)18/h1-6,9,14,19H,7-8H2.
What are the key properties of 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol has a molecular weight of 360.08 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 60798840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).