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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Related Compounds

3-chloro-5-hydroxy-7-(methoxymethoxy)-6-prop-2-enylchromen-4-one
CID 24774549
[4-[7-benzoyloxy-5-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-3-yl]phenyl] benzoate
CID 11635295
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811
7-(2-hydroxyethoxy)-5-methyl-3-phenylchromen-4-one
CID 22641127
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one
CID 71463561
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 170983728
methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
CID 59560396
1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
CID 86078751
3-[4-(4-bromobutoxy)phenyl]-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 141260005
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
CID 70183681

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).