2-(2-chlorophenyl)-1-cycloheptylethanone

C15H19ClO — CID 55091340

IUPAC2-(2-chlorophenyl)-1-cycloheptylethanone
SMILESO=C(Cc1ccccc1Cl)C1CCCCCC1
InChIInChI=1S/C15H19ClO/c16-14-10-6-5-9-13(14)11-15(17)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2
InChIKeyIQYXMLSNPYKTGP-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.42
Rot. Bonds3

About 2-(2-chlorophenyl)-1-cycloheptylethanone

2-(2-chlorophenyl)-1-cycloheptylethanone (PubChem CID 55091340) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-cycloheptylethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-cycloheptylethanone
PubChem CID55091340
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name2-(2-chlorophenyl)-1-cycloheptylethanone
SMILESO=C(Cc1ccccc1Cl)C1CCCCCC1
InChIInChI=1S/C15H19ClO/c16-14-10-6-5-9-13(14)11-15(17)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2
InChIKeyIQYXMLSNPYKTGP-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
2-(2-chlorothiophen-3-yl)-1-cyclohexylethanone
CID 164651092
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
CID 124512685

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-cycloheptylethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-cycloheptylethanone (CID 55091340) is 2-(2-chlorophenyl)-1-cycloheptylethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-cycloheptylethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-cycloheptylethanone is O=C(Cc1ccccc1Cl)C1CCCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-cycloheptylethanone?
The InChIKey is IQYXMLSNPYKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c16-14-10-6-5-9-13(14)11-15(17)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2.
What are the key properties of 2-(2-chlorophenyl)-1-cycloheptylethanone?
2-(2-chlorophenyl)-1-cycloheptylethanone has a molecular weight of 250.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-cycloheptylethanone is sourced from PubChem (CID 55091340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).