(5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one

C12H11ClO2 — CID 148574615

IUPAC(5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one
SMILESC=C1C[C@](CCl)(c2ccccc2)OC1=O
InChIInChI=1S/C12H11ClO2/c1-9-7-12(8-13,15-11(9)14)10-5-3-2-4-6-10/h2-6H,1,7-8H2/t12-/m0/s1
InChIKeyMXNZHMYDENEQAH-LBPRGKRZSA-N
MW222.67 g/mol
LogP2.62
Rot. Bonds2

About (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one

(5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one (PubChem CID 148574615) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one
PubChem CID148574615
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name(5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one
SMILESC=C1C[C@](CCl)(c2ccccc2)OC1=O
InChIInChI=1S/C12H11ClO2/c1-9-7-12(8-13,15-11(9)14)10-5-3-2-4-6-10/h2-6H,1,7-8H2/t12-/m0/s1
InChIKeyMXNZHMYDENEQAH-LBPRGKRZSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.62
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'}

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Related Compounds

5-(Iodomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 11289970
(5R)-5-(bromomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 148324544
5-(Bromomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 148324545
2(3H)-Furanone, dihydro-3-methylene-5-phenyl-
CID 176437
5-(4-Fluorophenyl)-5-(iodomethyl)-3-methylideneoxolan-2-one
CID 147541433
5-[Chloro(phenyl)methyl]-3-methylidene-5-phenyloxolan-2-one
CID 148857078
5-(Bromomethyl)-5-(4-chlorophenyl)-3-methylideneoxolan-2-one
CID 153094338
3-Methylidene-5-phenyl-5-(phenylselanylmethyl)oxolan-2-one
CID 156014380
5-Methyl-5-phenyloxolan-2-one
CID 88864
3-Chlorophthalide
CID 95469
3-Methylene-5,5-diphenyldihydro-2(3H)-furanone
CID 549456
4-Methyl-3-methylidene-5-phenyloxolan-2-one
CID 11446798

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one?
The IUPAC name of (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one (CID 148574615) is (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one.
What is the SMILES notation for (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one?
The canonical SMILES for (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one is C=C1C[C@](CCl)(c2ccccc2)OC1=O.
What is the InChIKey of (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one?
The InChIKey is MXNZHMYDENEQAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-9-7-12(8-13,15-11(9)14)10-5-3-2-4-6-10/h2-6H,1,7-8H2/t12-/m0/s1.
What are the key properties of (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one?
(5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one has a molecular weight of 222.67 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(chloromethyl)-3-methylidene-5-phenyloxolan-2-one is sourced from PubChem (CID 148574615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).