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

C18H24O3 — CID 62030623

IUPAC1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOCC1CC=CCC1C
InChIInChI=1S/C18H24O3/c1-14-7-3-4-8-16(14)13-20-11-12-21-18-10-6-5-9-17(18)15(2)19/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3
InChIKeyMTDBYSAMLQSGIP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.89
Rot. Bonds7

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

1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone (PubChem CID 62030623) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone
PubChem CID62030623
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOCC1CC=CCC1C
InChIInChI=1S/C18H24O3/c1-14-7-3-4-8-16(14)13-20-11-12-21-18-10-6-5-9-17(18)15(2)19/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3
InChIKeyMTDBYSAMLQSGIP-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone
CID 43128843
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
CID 143528643
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 43473193
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone (CID 62030623) is 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOCC1CC=CCC1C.
What is the InChIKey of 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone?
The InChIKey is MTDBYSAMLQSGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-14-7-3-4-8-16(14)13-20-11-12-21-18-10-6-5-9-17(18)15(2)19/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3.
What are the key properties of 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone?
1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 62030623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).