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

C12H10O3 — CID 14471962

IUPAC8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=c1oc2ccc(O)cc2c2c1CCC2
InChIInChI=1S/C12H10O3/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,13H,1-3H2
InChIKeyLYCZVRBMNHDJRO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.99
Rot. Bonds

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

8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 14471962) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID14471962
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=c1oc2ccc(O)cc2c2c1CCC2
InChIInChI=1S/C12H10O3/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,13H,1-3H2
InChIKeyLYCZVRBMNHDJRO-UHFFFAOYSA-N
XLogP1.99
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 14471962) is 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is O=c1oc2ccc(O)cc2c2c1CCC2.
What is the InChIKey of 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is LYCZVRBMNHDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,13H,1-3H2.
What are the key properties of 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 202.21 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 14471962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).