2-(2-nonylphenyl)cyclohexan-1-one

C21H32O — CID 67726706

IUPAC2-(2-nonylphenyl)cyclohexan-1-one
SMILESCCCCCCCCCc1ccccc1C1CCCCC1=O
InChIInChI=1S/C21H32O/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)20-16-11-12-17-21(20)22/h9-10,14-15,20H,2-8,11-13,16-17H2,1H3
InChIKeyRXENCRODLLOCBC-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.21
Rot. Bonds9

About 2-(2-nonylphenyl)cyclohexan-1-one

2-(2-nonylphenyl)cyclohexan-1-one (PubChem CID 67726706) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-(2-nonylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-nonylphenyl)cyclohexan-1-one
PubChem CID67726706
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name2-(2-nonylphenyl)cyclohexan-1-one
SMILESCCCCCCCCCc1ccccc1C1CCCCC1=O
InChIInChI=1S/C21H32O/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)20-16-11-12-17-21(20)22/h9-10,14-15,20H,2-8,11-13,16-17H2,1H3
InChIKeyRXENCRODLLOCBC-UHFFFAOYSA-N
XLogP6.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-heptylbenzene
CID 154399814
1-cyclopropyl-2-hexylbenzene
CID 172995295
2-(2-cyclobutylphenyl)cyclohexan-1-one
CID 114605762
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-ethyl-2-henicosylbenzene
CID 141174443
1,2-dihexylbenzene;hydrate
CID 172833093
3-(2-nonylphenyl)-3H-1-benzofuran-2-one
CID 54113873
dicesium;2-(2-nonylphenyl)oxirane;sulfate
CID 173298779

Frequently Asked Questions

What is the IUPAC name of 2-(2-nonylphenyl)cyclohexan-1-one?
The IUPAC name of 2-(2-nonylphenyl)cyclohexan-1-one (CID 67726706) is 2-(2-nonylphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-nonylphenyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-nonylphenyl)cyclohexan-1-one is CCCCCCCCCc1ccccc1C1CCCCC1=O.
What is the InChIKey of 2-(2-nonylphenyl)cyclohexan-1-one?
The InChIKey is RXENCRODLLOCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)20-16-11-12-17-21(20)22/h9-10,14-15,20H,2-8,11-13,16-17H2,1H3.
What are the key properties of 2-(2-nonylphenyl)cyclohexan-1-one?
2-(2-nonylphenyl)cyclohexan-1-one has a molecular weight of 300.49 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nonylphenyl)cyclohexan-1-one is sourced from PubChem (CID 67726706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).