2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol

C15H12Br2ClFO — CID 82779362

IUPAC2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(Br)ccc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H12Br2ClFO/c1-15(20,12-4-2-11(17)7-13(12)18)8-9-6-10(16)3-5-14(9)19/h2-7,20H,8H2,1H3
InChIKeyDIJRSVOMMLQSBE-UHFFFAOYSA-N
MW422.52 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol

2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol (PubChem CID 82779362) has the molecular formula C15H12Br2ClFO and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
PubChem CID82779362
Molecular FormulaC15H12Br2ClFO
Molecular Weight422.52 g/mol
Exact Mass419.89
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(Br)ccc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H12Br2ClFO/c1-15(20,12-4-2-11(17)7-13(12)18)8-9-6-10(16)3-5-14(9)19/h2-7,20H,8H2,1H3
InChIKeyDIJRSVOMMLQSBE-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65145030
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 82776853
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672
2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103047480
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol (CID 82779362) is 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol is CC(O)(Cc1cc(Br)ccc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol?
The InChIKey is DIJRSVOMMLQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClFO/c1-15(20,12-4-2-11(17)7-13(12)18)8-9-6-10(16)3-5-14(9)19/h2-7,20H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol?
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol has a molecular weight of 422.52 g/mol, XLogP of 5.45, 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-(5-bromo-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 82779362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).