1-cyclohexyl-4-phenylbutan-1-one

C16H22O — CID 11481636

IUPAC1-cyclohexyl-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyOOKIQFDXVMJTMM-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.16
Rot. Bonds5

About 1-cyclohexyl-4-phenylbutan-1-one

1-cyclohexyl-4-phenylbutan-1-one (PubChem CID 11481636) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclohexyl-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-4-phenylbutan-1-one
PubChem CID11481636
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cyclohexyl-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyOOKIQFDXVMJTMM-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(9-azabicyclo[3.3.1]nonan-3-yl)-4-phenylbutan-1-one
CID 171947997
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
cyclododecyl 4-phenylbutanoate
CID 23159480
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962878
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)
CID 145344960
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-phenylbutan-1-one?
The IUPAC name of 1-cyclohexyl-4-phenylbutan-1-one (CID 11481636) is 1-cyclohexyl-4-phenylbutan-1-one.
What is the SMILES notation for 1-cyclohexyl-4-phenylbutan-1-one?
The canonical SMILES for 1-cyclohexyl-4-phenylbutan-1-one is O=C(CCCc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-phenylbutan-1-one?
The InChIKey is OOKIQFDXVMJTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2.
What are the key properties of 1-cyclohexyl-4-phenylbutan-1-one?
1-cyclohexyl-4-phenylbutan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-phenylbutan-1-one is sourced from PubChem (CID 11481636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).