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

C14H17ClO2 — CID 103167728

IUPAC1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H17ClO2/c1-2-17-11-7-10(8-11)9-14(16)12-5-3-4-6-13(12)15/h3-6,10-11H,2,7-9H2,1H3
InChIKeyYHBFXCPULOLCLO-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.73
Rot. Bonds5

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

1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103167728) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103167728
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H17ClO2/c1-2-17-11-7-10(8-11)9-14(16)12-5-3-4-6-13(12)15/h3-6,10-11H,2,7-9H2,1H3
InChIKeyYHBFXCPULOLCLO-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone 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-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103474467
2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103168074
2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
CID 103162400
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
2-(3-ethoxycyclobutyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 103167821
1-(4-bromothiophen-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167972
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168123
2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 103162576
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162590
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
3-[2-(2-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 53436283
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone (CID 103167728) is 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is YHBFXCPULOLCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-2-17-11-7-10(8-11)9-14(16)12-5-3-4-6-13(12)15/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone?
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 252.74 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103167728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).