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

C9H10BrClO — CID 68559693

IUPAC2-(5-bromo-2-chlorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H10BrClO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,1-2H3
InChIKeyWPXONSYGPGWBPM-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.33
Rot. Bonds1

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

2-(5-bromo-2-chlorophenyl)propan-2-ol (PubChem CID 68559693) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)propan-2-ol
PubChem CID68559693
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name2-(5-bromo-2-chlorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H10BrClO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,1-2H3
InChIKeyWPXONSYGPGWBPM-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)propan-2-ol?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)propan-2-ol (CID 68559693) is 2-(5-bromo-2-chlorophenyl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)propan-2-ol is CC(C)(O)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)propan-2-ol?
The InChIKey is WPXONSYGPGWBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,1-2H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)propan-2-ol?
2-(5-bromo-2-chlorophenyl)propan-2-ol has a molecular weight of 249.53 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)propan-2-ol is sourced from PubChem (CID 68559693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).