3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one

C17H14O4 — CID 172638269

IUPAC3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one
SMILESC=CCc1c(O)c(OC)cc2c(=O)c3ccccc3oc12
InChIInChI=1S/C17H14O4/c1-3-6-11-16(19)14(20-2)9-12-15(18)10-7-4-5-8-13(10)21-17(11)12/h3-5,7-9,19H,1,6H2,2H3
InChIKeyKSHQQQISIBPYAY-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.39
Rot. Bonds3

About 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one

3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one (PubChem CID 172638269) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one
PubChem CID172638269
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one
SMILESC=CCc1c(O)c(OC)cc2c(=O)c3ccccc3oc12
InChIInChI=1S/C17H14O4/c1-3-6-11-16(19)14(20-2)9-12-15(18)10-7-4-5-8-13(10)21-17(11)12/h3-5,7-9,19H,1,6H2,2H3
InChIKeyKSHQQQISIBPYAY-UHFFFAOYSA-N
XLogP3.39
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one?
The IUPAC name of 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one (CID 172638269) is 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one.
What is the SMILES notation for 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one?
The canonical SMILES for 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one is C=CCc1c(O)c(OC)cc2c(=O)c3ccccc3oc12.
What is the InChIKey of 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one?
The InChIKey is KSHQQQISIBPYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-3-6-11-16(19)14(20-2)9-12-15(18)10-7-4-5-8-13(10)21-17(11)12/h3-5,7-9,19H,1,6H2,2H3.
What are the key properties of 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one?
3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one has a molecular weight of 282.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one is sourced from PubChem (CID 172638269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).