2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

C17H24O4 — CID 103168074

IUPAC2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCCOC1CC(CC(=O)c2ccccc2OCCOC)C1
InChIInChI=1S/C17H24O4/c1-3-20-14-10-13(11-14)12-16(18)15-6-4-5-7-17(15)21-9-8-19-2/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyITHMAZPTMHRKSQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.10
Rot. Bonds9

About 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (PubChem CID 103168074) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
PubChem CID103168074
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCCOC1CC(CC(=O)c2ccccc2OCCOC)C1
InChIInChI=1S/C17H24O4/c1-3-20-14-10-13(11-14)12-16(18)15-6-4-5-7-17(15)21-9-8-19-2/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyITHMAZPTMHRKSQ-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 115799934
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
CID 103162400
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one
CID 116563449
1-[2-(2-methoxyethoxy)phenyl]-2-morpholin-2-ylethanone
CID 116586332
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (CID 103168074) is 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is CCOC1CC(CC(=O)c2ccccc2OCCOC)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The InChIKey is ITHMAZPTMHRKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-20-14-10-13(11-14)12-16(18)15-6-4-5-7-17(15)21-9-8-19-2/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 103168074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).