7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one

C13H12O3 — CID 14089868

IUPAC7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
SMILESC=CCc1c(O)ccc2c(=O)cc(C)oc12
InChIInChI=1S/C13H12O3/c1-3-4-9-11(14)6-5-10-12(15)7-8(2)16-13(9)10/h3,5-7,14H,1,4H2,2H3
InChIKeyHDKJASKJPWBDEK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.54
Rot. Bonds2

About 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one

7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one (PubChem CID 14089868) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
PubChem CID14089868
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
SMILESC=CCc1c(O)ccc2c(=O)cc(C)oc12
InChIInChI=1S/C13H12O3/c1-3-4-9-11(14)6-5-10-12(15)7-8(2)16-13(9)10/h3,5-7,14H,1,4H2,2H3
InChIKeyHDKJASKJPWBDEK-UHFFFAOYSA-N
XLogP2.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one (CID 14089868) is 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one is C=CCc1c(O)ccc2c(=O)cc(C)oc12.
What is the InChIKey of 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one?
The InChIKey is HDKJASKJPWBDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-3-4-9-11(14)6-5-10-12(15)7-8(2)16-13(9)10/h3,5-7,14H,1,4H2,2H3.
What are the key properties of 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one?
7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one has a molecular weight of 216.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one is sourced from PubChem (CID 14089868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).