[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone

C16H13ClO — CID 39358836

IUPAC[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)cc1)C1CC1
InChIInChI=1S/C16H13ClO/c17-15-9-7-12(8-10-15)11-1-3-13(4-2-11)16(18)14-5-6-14/h1-4,7-10,14H,5-6H2
InChIKeyHDNOKQUXMULAKK-UHFFFAOYSA-N
MW256.73 g/mol
LogP4.60
Rot. Bonds3

About [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone

[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone (PubChem CID 39358836) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
PubChem CID39358836
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)cc1)C1CC1
InChIInChI=1S/C16H13ClO/c17-15-9-7-12(8-10-15)11-1-3-13(4-2-11)16(18)14-5-6-14/h1-4,7-10,14H,5-6H2
InChIKeyHDNOKQUXMULAKK-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 57168194
(3-aminocyclobutyl)-(4-chlorophenyl)methanone
CID 116917659
carbonic acid;[4-(4-chlorophenyl)phenyl]-[(1S,3R)-3-phenylsulfanylcyclopentyl]methanone
CID 70150180
[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
4-[[4-(4-chlorobenzoyl)cyclohexyl]methyl]benzoic acid
CID 91380775
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid
CID 15391089
4-(4-chlorophenyl)benzoyl iodide
CID 90184448
(4-chlorophenyl)-(2,2-dimethyl-1-oxaspiro[2.5]octan-6-yl)methanone
CID 138966693
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone?
The IUPAC name of [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone (CID 39358836) is [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone is O=C(c1ccc(-c2ccc(Cl)cc2)cc1)C1CC1.
What is the InChIKey of [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone?
The InChIKey is HDNOKQUXMULAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO/c17-15-9-7-12(8-10-15)11-1-3-13(4-2-11)16(18)14-5-6-14/h1-4,7-10,14H,5-6H2.
What are the key properties of [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone?
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone has a molecular weight of 256.73 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)phenyl]-cyclopropylmethanone is sourced from PubChem (CID 39358836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).