3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one

C16H20O2 — CID 143312154

IUPAC3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one
SMILESCCC=C1CC(=O)CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H20O2/c1-3-4-12-9-14(11-15(17)10-12)13-5-7-16(18-2)8-6-13/h4-8,14H,3,9-11H2,1-2H3
InChIKeyGESACMBDGODIBQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.87
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one

3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one (PubChem CID 143312154) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one
PubChem CID143312154
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one
SMILESCCC=C1CC(=O)CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H20O2/c1-3-4-12-9-14(11-15(17)10-12)13-5-7-16(18-2)8-6-13/h4-8,14H,3,9-11H2,1-2H3
InChIKeyGESACMBDGODIBQ-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one
CID 42628142
(5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-(4-methoxyphenyl)cyclohexan-1-one
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CID 18361933
5-[2-(4-methoxyphenyl)sulfanylethyl]cyclohexane-1,3-dione
CID 123274062
5-(3-methoxy-5-methylphenyl)cyclohexane-1,3-dione
CID 70907539
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
(3S)-3-(4-methoxyphenyl)-5-[2-(2-methyl-1H-indol-3-yl)ethylimino]cyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one (CID 143312154) is 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one is CCC=C1CC(=O)CC(c2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one?
The InChIKey is GESACMBDGODIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-4-12-9-14(11-15(17)10-12)13-5-7-16(18-2)8-6-13/h4-8,14H,3,9-11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one?
3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one is sourced from PubChem (CID 143312154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).