1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone

C16H20O2 — CID 43128843

IUPAC1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC1CC=CCC1C
InChIInChI=1S/C16H20O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-6,9-10,12,14H,7-8,11H2,1-2H3
InChIKeyMXNSABSOWBOONN-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone

1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone (PubChem CID 43128843) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone
PubChem CID43128843
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC1CC=CCC1C
InChIInChI=1S/C16H20O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-6,9-10,12,14H,7-8,11H2,1-2H3
InChIKeyMXNSABSOWBOONN-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone
CID 62030623
1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
CID 143528643
3-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-nitrobenzoic acid
CID 115541013
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 43473193
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
CID 112781556
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone (CID 43128843) is 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCC1CC=CCC1C.
What is the InChIKey of 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone?
The InChIKey is MXNSABSOWBOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-6,9-10,12,14H,7-8,11H2,1-2H3.
What are the key properties of 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone?
1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone has a molecular weight of 244.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 43128843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).