8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one

C12H9ClO2 — CID 10846599

IUPAC8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one
SMILESO=C1CC2=C(C1)c1cc(Cl)ccc1OC2
InChIInChI=1S/C12H9ClO2/c13-8-1-2-12-11(4-8)10-5-9(14)3-7(10)6-15-12/h1-2,4H,3,5-6H2
InChIKeyRCNGQMFWHAAICK-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.85
Rot. Bonds

About 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one

8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one (PubChem CID 10846599) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one.

Molecular Properties

Compound Name8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one
PubChem CID10846599
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one
SMILESO=C1CC2=C(C1)c1cc(Cl)ccc1OC2
InChIInChI=1S/C12H9ClO2/c13-8-1-2-12-11(4-8)10-5-9(14)3-7(10)6-15-12/h1-2,4H,3,5-6H2
InChIKeyRCNGQMFWHAAICK-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
The IUPAC name of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one (CID 10846599) is 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one.
What is the SMILES notation for 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
The canonical SMILES for 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one is O=C1CC2=C(C1)c1cc(Cl)ccc1OC2.
What is the InChIKey of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
The InChIKey is RCNGQMFWHAAICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-8-1-2-12-11(4-8)10-5-9(14)3-7(10)6-15-12/h1-2,4H,3,5-6H2.
What are the key properties of 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one?
8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one has a molecular weight of 220.66 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one is sourced from PubChem (CID 10846599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).