2-(4-chlorophenyl)-1-cycloheptylethanone

C15H19ClO — CID 62588703

IUPAC2-(4-chlorophenyl)-1-cycloheptylethanone
SMILESO=C(Cc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C15H19ClO/c16-14-9-7-12(8-10-14)11-15(17)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2
InChIKeyMHLMNFZIPVKERO-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.42
Rot. Bonds3

About 2-(4-chlorophenyl)-1-cycloheptylethanone

2-(4-chlorophenyl)-1-cycloheptylethanone (PubChem CID 62588703) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-cycloheptylethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-cycloheptylethanone
PubChem CID62588703
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name2-(4-chlorophenyl)-1-cycloheptylethanone
SMILESO=C(Cc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C15H19ClO/c16-14-9-7-12(8-10-14)11-15(17)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2
InChIKeyMHLMNFZIPVKERO-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-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-cycloheptylethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-cycloheptylethanone (CID 62588703) is 2-(4-chlorophenyl)-1-cycloheptylethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-cycloheptylethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-cycloheptylethanone is O=C(Cc1ccc(Cl)cc1)C1CCCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-cycloheptylethanone?
The InChIKey is MHLMNFZIPVKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c16-14-9-7-12(8-10-14)11-15(17)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2.
What are the key properties of 2-(4-chlorophenyl)-1-cycloheptylethanone?
2-(4-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-(4-chlorophenyl)-1-cycloheptylethanone is sourced from PubChem (CID 62588703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).