2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

C14H11ClO2 — CID 10824360

IUPAC2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESO=c1cc(-c2ccccc2Cl)oc2c1CCC2
InChIInChI=1S/C14H11ClO2/c15-11-6-2-1-4-9(11)14-8-12(16)10-5-3-7-13(10)17-14/h1-2,4,6,8H,3,5,7H2
InChIKeyHICHITBLWKKKKX-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.45
Rot. Bonds1

About 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (PubChem CID 10824360) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
PubChem CID10824360
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESO=c1cc(-c2ccccc2Cl)oc2c1CCC2
InChIInChI=1S/C14H11ClO2/c15-11-6-2-1-4-9(11)14-8-12(16)10-5-3-7-13(10)17-14/h1-2,4,6,8H,3,5,7H2
InChIKeyHICHITBLWKKKKX-UHFFFAOYSA-N
XLogP3.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The IUPAC name of 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (CID 10824360) is 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is O=c1cc(-c2ccccc2Cl)oc2c1CCC2.
What is the InChIKey of 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The InChIKey is HICHITBLWKKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-11-6-2-1-4-9(11)14-8-12(16)10-5-3-7-13(10)17-14/h1-2,4,6,8H,3,5,7H2.
What are the key properties of 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one has a molecular weight of 246.69 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is sourced from PubChem (CID 10824360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).