4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one

C12H11ClO2 — CID 60705449

IUPAC4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
SMILESC=C(Cl)COc1cccc2c1CCC2=O
InChIInChI=1S/C12H11ClO2/c1-8(13)7-15-12-4-2-3-9-10(12)5-6-11(9)14/h2-4H,1,5-7H2
InChIKeyUBPWQKLOCNMBPZ-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.95
Rot. Bonds3

About 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one

4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one (PubChem CID 60705449) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
PubChem CID60705449
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
SMILESC=C(Cl)COc1cccc2c1CCC2=O
InChIInChI=1S/C12H11ClO2/c1-8(13)7-15-12-4-2-3-9-10(12)5-6-11(9)14/h2-4H,1,5-7H2
InChIKeyUBPWQKLOCNMBPZ-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one (CID 60705449) is 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one is C=C(Cl)COc1cccc2c1CCC2=O.
What is the InChIKey of 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one?
The InChIKey is UBPWQKLOCNMBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-8(13)7-15-12-4-2-3-9-10(12)5-6-11(9)14/h2-4H,1,5-7H2.
What are the key properties of 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one?
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one has a molecular weight of 222.67 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 60705449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).