1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one

C17H24O2 — CID 114602128

IUPAC1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
SMILESCCC(CC)(OC)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H24O2/c1-4-17(5-2,19-3)16(18)15-11-7-10-14(12-15)13-8-6-9-13/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeyQZWZMXYJXCYHRM-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds6

About 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one

1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one (PubChem CID 114602128) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
PubChem CID114602128
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
SMILESCCC(CC)(OC)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H24O2/c1-4-17(5-2,19-3)16(18)15-11-7-10-14(12-15)13-8-6-9-13/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeyQZWZMXYJXCYHRM-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601959
1-(3-cyclobutylphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 114607529
methyl 3-cyclohexylbenzoate
CID 67160762
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
CID 103454372
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
CID 114607534
1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168158
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
1-(3-cyclobutylphenyl)-3,5,5-trimethylhexan-1-one
CID 115814546

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one (CID 114602128) is 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one is CCC(CC)(OC)C(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one?
The InChIKey is QZWZMXYJXCYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-17(5-2,19-3)16(18)15-11-7-10-14(12-15)13-8-6-9-13/h7,10-13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one?
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one has a molecular weight of 260.38 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-ethyl-2-methoxybutan-1-one is sourced from PubChem (CID 114602128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).