1-(2-benzoylphenyl)-3-chloropropan-1-one

C16H13ClO2 — CID 172792049

IUPAC1-(2-benzoylphenyl)-3-chloropropan-1-one
SMILESO=C(CCCl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13ClO2/c17-11-10-15(18)13-8-4-5-9-14(13)16(19)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyPRWWPNBOHALAKN-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.73
Rot. Bonds5

About 1-(2-benzoylphenyl)-3-chloropropan-1-one

1-(2-benzoylphenyl)-3-chloropropan-1-one (PubChem CID 172792049) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)-3-chloropropan-1-one.

Molecular Properties

Compound Name1-(2-benzoylphenyl)-3-chloropropan-1-one
PubChem CID172792049
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name1-(2-benzoylphenyl)-3-chloropropan-1-one
SMILESO=C(CCCl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13ClO2/c17-11-10-15(18)13-8-4-5-9-14(13)16(19)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyPRWWPNBOHALAKN-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-benzoylphenyl)hexan-1-one
CID 158745155
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415
1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one
CID 174384759
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
diphenylmethanone;gold
CID 174931146
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
1-(2-bromo-3-hydroxyphenyl)-3-chloropropan-1-one
CID 118801894
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)-3-chloropropan-1-one?
The IUPAC name of 1-(2-benzoylphenyl)-3-chloropropan-1-one (CID 172792049) is 1-(2-benzoylphenyl)-3-chloropropan-1-one.
What is the SMILES notation for 1-(2-benzoylphenyl)-3-chloropropan-1-one?
The canonical SMILES for 1-(2-benzoylphenyl)-3-chloropropan-1-one is O=C(CCCl)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 1-(2-benzoylphenyl)-3-chloropropan-1-one?
The InChIKey is PRWWPNBOHALAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c17-11-10-15(18)13-8-4-5-9-14(13)16(19)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-(2-benzoylphenyl)-3-chloropropan-1-one?
1-(2-benzoylphenyl)-3-chloropropan-1-one has a molecular weight of 272.73 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)-3-chloropropan-1-one is sourced from PubChem (CID 172792049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).