(4-chlorophenyl)-phenylmethanone;propan-2-one

C16H15ClO2 — CID 175521712

IUPAC(4-chlorophenyl)-phenylmethanone;propan-2-one
SMILESCC(C)=O.O=C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClO.C3H6O/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3(2)4/h1-9H;1-2H3
InChIKeyITMBKLRYVWAZIZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.17
Rot. Bonds2

About (4-chlorophenyl)-phenylmethanone;propan-2-one

(4-chlorophenyl)-phenylmethanone;propan-2-one (PubChem CID 175521712) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (4-chlorophenyl)-phenylmethanone;propan-2-one.

Molecular Properties

Compound Name(4-chlorophenyl)-phenylmethanone;propan-2-one
PubChem CID175521712
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(4-chlorophenyl)-phenylmethanone;propan-2-one
SMILESCC(C)=O.O=C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClO.C3H6O/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3(2)4/h1-9H;1-2H3
InChIKeyITMBKLRYVWAZIZ-UHFFFAOYSA-N
XLogP4.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
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diphenylmethanone;ethane
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CID 2800946
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CID 160674424
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CID 173240243
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
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CID 69107757

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-phenylmethanone;propan-2-one?
The IUPAC name of (4-chlorophenyl)-phenylmethanone;propan-2-one (CID 175521712) is (4-chlorophenyl)-phenylmethanone;propan-2-one.
What is the SMILES notation for (4-chlorophenyl)-phenylmethanone;propan-2-one?
The canonical SMILES for (4-chlorophenyl)-phenylmethanone;propan-2-one is CC(C)=O.O=C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-phenylmethanone;propan-2-one?
The InChIKey is ITMBKLRYVWAZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO.C3H6O/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3(2)4/h1-9H;1-2H3.
What are the key properties of (4-chlorophenyl)-phenylmethanone;propan-2-one?
(4-chlorophenyl)-phenylmethanone;propan-2-one has a molecular weight of 274.75 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-phenylmethanone;propan-2-one is sourced from PubChem (CID 175521712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).