1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one

C16H20O2 — CID 62078293

IUPAC1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)C2=CCCCC2)cc1
InChIInChI=1S/C16H20O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h5,7-8,10-11H,2-4,6,9,12H2,1H3
InChIKeyAXKYKBRBGRHPDP-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.70
Rot. Bonds5

About 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one

1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 62078293) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID62078293
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)C2=CCCCC2)cc1
InChIInChI=1S/C16H20O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h5,7-8,10-11H,2-4,6,9,12H2,1H3
InChIKeyAXKYKBRBGRHPDP-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
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1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
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N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
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1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
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formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one (CID 62078293) is 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)C2=CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is AXKYKBRBGRHPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h5,7-8,10-11H,2-4,6,9,12H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 62078293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).