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

C9H10BrClO — CID 117377789

IUPAC1-(2-bromo-5-chlorophenyl)propan-2-ol
SMILESCC(O)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C9H10BrClO/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6,12H,4H2,1H3
InChIKeyQZZINHXAGUPYOK-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.03
Rot. Bonds2

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

1-(2-bromo-5-chlorophenyl)propan-2-ol (PubChem CID 117377789) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)propan-2-ol
PubChem CID117377789
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-(2-bromo-5-chlorophenyl)propan-2-ol
SMILESCC(O)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C9H10BrClO/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6,12H,4H2,1H3
InChIKeyQZZINHXAGUPYOK-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
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1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)propan-2-ol (CID 117377789) is 1-(2-bromo-5-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)propan-2-ol is CC(O)Cc1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)propan-2-ol?
The InChIKey is QZZINHXAGUPYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6,12H,4H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)propan-2-ol?
1-(2-bromo-5-chlorophenyl)propan-2-ol has a molecular weight of 249.53 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)propan-2-ol is sourced from PubChem (CID 117377789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).