1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone

C17H24O3 — CID 43793785

IUPAC1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOC1CCCC(C)C1
InChIInChI=1S/C17H24O3/c1-13-6-5-7-15(12-13)19-10-11-20-17-9-4-3-8-16(17)14(2)18/h3-4,8-9,13,15H,5-7,10-12H2,1-2H3
InChIKeyCLJNTXLUWHPNQJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.86
Rot. Bonds6

About 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone

1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone (PubChem CID 43793785) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone
PubChem CID43793785
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOC1CCCC(C)C1
InChIInChI=1S/C17H24O3/c1-13-6-5-7-15(12-13)19-10-11-20-17-9-4-3-8-16(17)14(2)18/h3-4,8-9,13,15H,5-7,10-12H2,1-2H3
InChIKeyCLJNTXLUWHPNQJ-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclobutyloxyethoxy)benzoic acid
CID 62115794
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzoic acid
CID 64730959
1-[2-[2-(oxolan-3-yloxy)ethoxy]phenyl]ethanone
CID 63557252
1-[2-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone
CID 7379412
2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575926
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
2-(2-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone (CID 43793785) is 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOC1CCCC(C)C1.
What is the InChIKey of 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone?
The InChIKey is CLJNTXLUWHPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-13-6-5-7-15(12-13)19-10-11-20-17-9-4-3-8-16(17)14(2)18/h3-4,8-9,13,15H,5-7,10-12H2,1-2H3.
What are the key properties of 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone?
1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone is sourced from PubChem (CID 43793785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).