2-cycloheptyl-1-phenylpropan-1-one

C16H22O — CID 104844954

IUPAC2-cycloheptyl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H22O/c1-13(14-9-5-2-3-6-10-14)16(17)15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3
InChIKeyJLBNNRPEEJHLIA-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.48
Rot. Bonds3

About 2-cycloheptyl-1-phenylpropan-1-one

2-cycloheptyl-1-phenylpropan-1-one (PubChem CID 104844954) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-cycloheptyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-cycloheptyl-1-phenylpropan-1-one
PubChem CID104844954
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-cycloheptyl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H22O/c1-13(14-9-5-2-3-6-10-14)16(17)15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3
InChIKeyJLBNNRPEEJHLIA-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one
CID 10353801
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
CID 101241233
N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide
CID 90371495
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
2-amino-2-cyclobutyl-1-phenylethanone
CID 54531092
2-(1-cyclopropylethyl)-1-phenylbutane-1,3-dione
CID 118908365
(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
CID 101260297
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
(1-cyclohexyl-2-hydroxyethyl) benzoate
CID 85344980

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-phenylpropan-1-one?
The IUPAC name of 2-cycloheptyl-1-phenylpropan-1-one (CID 104844954) is 2-cycloheptyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-cycloheptyl-1-phenylpropan-1-one?
The canonical SMILES for 2-cycloheptyl-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-1-phenylpropan-1-one?
The InChIKey is JLBNNRPEEJHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13(14-9-5-2-3-6-10-14)16(17)15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3.
What are the key properties of 2-cycloheptyl-1-phenylpropan-1-one?
2-cycloheptyl-1-phenylpropan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-phenylpropan-1-one is sourced from PubChem (CID 104844954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).