2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

C16H22O4 — CID 103558943

IUPAC2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)CC1(OC)CCC1
InChIInChI=1S/C16H22O4/c1-18-10-11-20-15-7-4-3-6-13(15)14(17)12-16(19-2)8-5-9-16/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeyKVBACFCZHDRXLG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.85
Rot. Bonds8

About 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (PubChem CID 103558943) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
PubChem CID103558943
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)CC1(OC)CCC1
InChIInChI=1S/C16H22O4/c1-18-10-11-20-15-7-4-3-6-13(15)14(17)12-16(19-2)8-5-9-16/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeyKVBACFCZHDRXLG-UHFFFAOYSA-N
XLogP2.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.85
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

2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069
1-(2-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558764
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103168074
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 115799934
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
1-[2-(2-methoxyethoxy)phenyl]-2-morpholin-2-ylethanone
CID 116586332

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (CID 103558943) is 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is COCCOc1ccccc1C(=O)CC1(OC)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The InChIKey is KVBACFCZHDRXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-18-10-11-20-15-7-4-3-6-13(15)14(17)12-16(19-2)8-5-9-16/h3-4,6-7H,5,8-12H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone has a molecular weight of 278.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 103558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).