1-(4-chlorophenyl)-3-hydroxypropan-2-one

C9H9ClO2 — CID 12071752

IUPAC1-(4-chlorophenyl)-3-hydroxypropan-2-one
SMILESO=C(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,11H,5-6H2
InChIKeyPWBVIZZGWGITCV-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.44
Rot. Bonds3

About 1-(4-chlorophenyl)-3-hydroxypropan-2-one

1-(4-chlorophenyl)-3-hydroxypropan-2-one (PubChem CID 12071752) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxypropan-2-one
PubChem CID12071752
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name1-(4-chlorophenyl)-3-hydroxypropan-2-one
SMILESO=C(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,11H,5-6H2
InChIKeyPWBVIZZGWGITCV-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(4-chlorophenyl)-8-hydroxyoctan-2-one
CID 57297680
1-(4-chlorophenyl)butan-2-one
CID 39237509
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one
CID 69337464
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
2-(4-chlorophenyl)acetate
CID 5460378
2-(4-chlorophenyl)acetyl iodide
CID 89264950
1-(4-chlorophenyl)-5-methoxypentan-2-one
CID 62621697
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxypropan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxypropan-2-one (CID 12071752) is 1-(4-chlorophenyl)-3-hydroxypropan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxypropan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxypropan-2-one is O=C(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxypropan-2-one?
The InChIKey is PWBVIZZGWGITCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,11H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxypropan-2-one?
1-(4-chlorophenyl)-3-hydroxypropan-2-one has a molecular weight of 184.62 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxypropan-2-one is sourced from PubChem (CID 12071752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).