1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one

C22H34O2 — CID 170769530

IUPAC1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one
SMILESCCCCCC(C)CCC(C(=O)C1CCC1)c1ccc(OC)cc1
InChIInChI=1S/C22H34O2/c1-4-5-6-8-17(2)11-16-21(22(23)19-9-7-10-19)18-12-14-20(24-3)15-13-18/h12-15,17,19,21H,4-11,16H2,1-3H3
InChIKeySCCCAVDBJMRQGK-UHFFFAOYSA-N
MW330.51 g/mol
LogP6.14
Rot. Bonds11

About 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one

1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one (PubChem CID 170769530) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one
PubChem CID170769530
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one
SMILESCCCCCC(C)CCC(C(=O)C1CCC1)c1ccc(OC)cc1
InChIInChI=1S/C22H34O2/c1-4-5-6-8-17(2)11-16-21(22(23)19-9-7-10-19)18-12-14-20(24-3)15-13-18/h12-15,17,19,21H,4-11,16H2,1-3H3
InChIKeySCCCAVDBJMRQGK-UHFFFAOYSA-N
XLogP6.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-cyclobutyl-5-methyl-2-phenyldecan-1-one
CID 170769500
1-cyclobutyl-5-methyl-2-phenyldecan-1-one
CID 170769487
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
2-(4-methoxyphenyl)hexanoate
CID 19815864
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
2-(4-methoxyphenyl)octan-3-one
CID 71426807
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46420149
2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
CID 66702251
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
CID 102144586

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one?
The IUPAC name of 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one (CID 170769530) is 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one?
The canonical SMILES for 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one is CCCCCC(C)CCC(C(=O)C1CCC1)c1ccc(OC)cc1.
What is the InChIKey of 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one?
The InChIKey is SCCCAVDBJMRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-4-5-6-8-17(2)11-16-21(22(23)19-9-7-10-19)18-12-14-20(24-3)15-13-18/h12-15,17,19,21H,4-11,16H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one?
1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one has a molecular weight of 330.51 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(4-methoxyphenyl)-5-methyldecan-1-one is sourced from PubChem (CID 170769530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).