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

C9H9ClO2 — CID 11063098

IUPAC1-(4-chlorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,11H,1H3
InChIKeyMRBCYWADGWRLRL-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.90
Rot. Bonds2

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

1-(4-chlorophenyl)-2-hydroxypropan-1-one (PubChem CID 11063098) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-hydroxypropan-1-one
PubChem CID11063098
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name1-(4-chlorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,11H,1H3
InChIKeyMRBCYWADGWRLRL-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-hydroxypropan-1-one (CID 11063098) is 1-(4-chlorophenyl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-hydroxypropan-1-one is CC(O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-hydroxypropan-1-one?
The InChIKey is MRBCYWADGWRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-hydroxypropan-1-one?
1-(4-chlorophenyl)-2-hydroxypropan-1-one has a molecular weight of 184.62 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-hydroxypropan-1-one is sourced from PubChem (CID 11063098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).