4-hydroxy-7-prop-2-enylchromen-2-one

C12H10O3 — CID 141309606

IUPAC4-hydroxy-7-prop-2-enylchromen-2-one
SMILESC=CCc1ccc2c(O)cc(=O)oc2c1
InChIInChI=1S/C12H10O3/c1-2-3-8-4-5-9-10(13)7-12(14)15-11(9)6-8/h2,4-7,13H,1,3H2
InChIKeyAWGIXBJODZEVJR-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.23
Rot. Bonds2

About 4-hydroxy-7-prop-2-enylchromen-2-one

4-hydroxy-7-prop-2-enylchromen-2-one (PubChem CID 141309606) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-hydroxy-7-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-prop-2-enylchromen-2-one
PubChem CID141309606
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-hydroxy-7-prop-2-enylchromen-2-one
SMILESC=CCc1ccc2c(O)cc(=O)oc2c1
InChIInChI=1S/C12H10O3/c1-2-3-8-4-5-9-10(13)7-12(14)15-11(9)6-8/h2,4-7,13H,1,3H2
InChIKeyAWGIXBJODZEVJR-UHFFFAOYSA-N
XLogP2.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-prop-2-enylchromen-2-one?
The IUPAC name of 4-hydroxy-7-prop-2-enylchromen-2-one (CID 141309606) is 4-hydroxy-7-prop-2-enylchromen-2-one.
What is the SMILES notation for 4-hydroxy-7-prop-2-enylchromen-2-one?
The canonical SMILES for 4-hydroxy-7-prop-2-enylchromen-2-one is C=CCc1ccc2c(O)cc(=O)oc2c1.
What is the InChIKey of 4-hydroxy-7-prop-2-enylchromen-2-one?
The InChIKey is AWGIXBJODZEVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-2-3-8-4-5-9-10(13)7-12(14)15-11(9)6-8/h2,4-7,13H,1,3H2.
What are the key properties of 4-hydroxy-7-prop-2-enylchromen-2-one?
4-hydroxy-7-prop-2-enylchromen-2-one has a molecular weight of 202.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-prop-2-enylchromen-2-one is sourced from PubChem (CID 141309606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).