5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one

C20H18O5 — CID 24774548

IUPAC5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one
SMILESC=CCc1c(OCOC)cc2occ(-c3ccccc3)c(=O)c2c1O
InChIInChI=1S/C20H18O5/c1-3-7-14-16(25-12-23-2)10-17-18(19(14)21)20(22)15(11-24-17)13-8-5-4-6-9-13/h3-6,8-11,21H,1,7,12H2,2H3
InChIKeyWCBHHICIXYVOIV-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.88
Rot. Bonds6

About 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one

5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one (PubChem CID 24774548) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one
PubChem CID24774548
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one
SMILESC=CCc1c(OCOC)cc2occ(-c3ccccc3)c(=O)c2c1O
InChIInChI=1S/C20H18O5/c1-3-7-14-16(25-12-23-2)10-17-18(19(14)21)20(22)15(11-24-17)13-8-5-4-6-9-13/h3-6,8-11,21H,1,7,12H2,2H3
InChIKeyWCBHHICIXYVOIV-UHFFFAOYSA-N
XLogP3.88
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one?
The IUPAC name of 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one (CID 24774548) is 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one is C=CCc1c(OCOC)cc2occ(-c3ccccc3)c(=O)c2c1O.
What is the InChIKey of 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one?
The InChIKey is WCBHHICIXYVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-3-7-14-16(25-12-23-2)10-17-18(19(14)21)20(22)15(11-24-17)13-8-5-4-6-9-13/h3-6,8-11,21H,1,7,12H2,2H3.
What are the key properties of 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one?
5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one has a molecular weight of 338.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(methoxymethoxy)-3-phenyl-6-prop-2-enylchromen-4-one is sourced from PubChem (CID 24774548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).