1-(4-phenylcyclohexyl)propan-1-one

C15H20O — CID 13042788

IUPAC1-(4-phenylcyclohexyl)propan-1-one
SMILESCCC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyZODJTCYWBLZPQV-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-phenylcyclohexyl)propan-1-one

1-(4-phenylcyclohexyl)propan-1-one (PubChem CID 13042788) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(4-phenylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-(4-phenylcyclohexyl)propan-1-one
PubChem CID13042788
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(4-phenylcyclohexyl)propan-1-one
SMILESCCC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyZODJTCYWBLZPQV-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-oxo-4-(4-phenylcyclohexyl)butanoate
CID 174381996
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
sodium 4-phenylcyclohexane-1-carboxylate
CID 23689505
1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
CID 101058020
1,7-bis[4-(4-propanoylcyclohexyl)phenyl]heptan-4-one
CID 70445056
benzene;cyclopropylbenzene
CID 144638417
1,9-bis[4-(4-propanoylcyclohexyl)phenyl]nonan-5-one
CID 70444310
1-[4-[4-(4-propanoylcyclohexyl)phenyl]phenyl]butan-1-one
CID 70445259
cyclopropylbenzene;ethylhydrazine
CID 22346635
N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane
CID 142209251
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone
CID 167913820

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylcyclohexyl)propan-1-one?
The IUPAC name of 1-(4-phenylcyclohexyl)propan-1-one (CID 13042788) is 1-(4-phenylcyclohexyl)propan-1-one.
What is the SMILES notation for 1-(4-phenylcyclohexyl)propan-1-one?
The canonical SMILES for 1-(4-phenylcyclohexyl)propan-1-one is CCC(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylcyclohexyl)propan-1-one?
The InChIKey is ZODJTCYWBLZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of 1-(4-phenylcyclohexyl)propan-1-one?
1-(4-phenylcyclohexyl)propan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylcyclohexyl)propan-1-one is sourced from PubChem (CID 13042788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).