[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate

C19H17ClO3 — CID 155946371

IUPAC[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClO3/c20-16-9-4-6-14(12-16)17(21)13-23-18(22)19(10-5-11-19)15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2
InChIKeySOMQIUSSRDWZQI-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.19
Rot. Bonds5

About [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate

[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate (PubChem CID 155946371) has the molecular formula C19H17ClO3 and a molecular weight of 328.80 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
PubChem CID155946371
Molecular FormulaC19H17ClO3
Molecular Weight328.80 g/mol
Exact Mass328.09
IUPAC Name[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClO3/c20-16-9-4-6-14(12-16)17(21)13-23-18(22)19(10-5-11-19)15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2
InChIKeySOMQIUSSRDWZQI-UHFFFAOYSA-N
XLogP4.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenacyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55312475
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 16520238
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 17412643
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559290
[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23822314
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42983074
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611527
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 24670008
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 30656999
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 9107006

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate?
The IUPAC name of [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate (CID 155946371) is [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate?
The canonical SMILES for [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CCC1)c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate?
The InChIKey is SOMQIUSSRDWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO3/c20-16-9-4-6-14(12-16)17(21)13-23-18(22)19(10-5-11-19)15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2.
What are the key properties of [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate?
[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate has a molecular weight of 328.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 155946371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).