5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one

C18H15ClO2 — CID 148857078

IUPAC5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
SMILESC=C1CC(c2ccccc2)(C(Cl)c2ccccc2)OC1=O
InChIInChI=1S/C18H15ClO2/c1-13-12-18(21-17(13)20,15-10-6-3-7-11-15)16(19)14-8-4-2-5-9-14/h2-11,16H,1,12H2
InChIKeyOYOTZSLGJBBROB-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.37
Rot. Bonds3

About 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one

5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one (PubChem CID 148857078) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one.

Molecular Properties

Compound Name5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
PubChem CID148857078
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
SMILESC=C1CC(c2ccccc2)(C(Cl)c2ccccc2)OC1=O
InChIInChI=1S/C18H15ClO2/c1-13-12-18(21-17(13)20,15-10-6-3-7-11-15)16(19)14-8-4-2-5-9-14/h2-11,16H,1,12H2
InChIKeyOYOTZSLGJBBROB-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-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

5-(Iodomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 11289970
5-[Bromo(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
CID 153021469
Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-
CID 179617
(5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one
CID 148574615
3-Methylidene-5-phenyl-5-(phenylselanylmethyl)oxolan-2-one
CID 156014380
5-Methyl-5-phenyloxolan-2-one
CID 88864
3-Methylene-5,5-diphenyldihydro-2(3H)-furanone
CID 549456
3-Methylidene-4,5-diphenyloxolan-2-one
CID 13699856
3-Methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one
CID 118708711
5-Methyl-3-methylidene-5-phenyloxolan-2-one
CID 185672
(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one
CID 11747058
(4R,5S)-3-methylidene-4,5-diphenyloxolan-2-one
CID 12023500

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one?
The IUPAC name of 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one (CID 148857078) is 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one.
What is the SMILES notation for 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one?
The canonical SMILES for 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one is C=C1CC(c2ccccc2)(C(Cl)c2ccccc2)OC1=O.
What is the InChIKey of 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one?
The InChIKey is OYOTZSLGJBBROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO2/c1-13-12-18(21-17(13)20,15-10-6-3-7-11-15)16(19)14-8-4-2-5-9-14/h2-11,16H,1,12H2.
What are the key properties of 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one?
5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one has a molecular weight of 298.77 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one is sourced from PubChem (CID 148857078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).