1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone

C18H24O2 — CID 103168158

IUPAC1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H24O2/c1-2-20-17-9-13(10-17)11-18(19)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12-14,17H,2-3,5-6,9-11H2,1H3
InChIKeyQLAQHNNZOGOJNK-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.34
Rot. Bonds6

About 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone

1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103168158) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103168158
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H24O2/c1-2-20-17-9-13(10-17)11-18(19)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12-14,17H,2-3,5-6,9-11H2,1H3
InChIKeyQLAQHNNZOGOJNK-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
CID 114602128
3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936
1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
CID 114607490
(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
CID 103454372
2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone
CID 114607681
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
CID 114607644
2-(3-ethoxycyclobutyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 103162440

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone (CID 103168158) is 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)c2cccc(C3CCC3)c2)C1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is QLAQHNNZOGOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-20-17-9-13(10-17)11-18(19)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12-14,17H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone?
1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103168158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).