7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one

C20H18O5 — CID 123677692

IUPAC7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one
SMILESC=CCc1c(-c2ccc(O)cc2)oc2cc(O)c(C)c(OC)c2c1=O
InChIInChI=1S/C20H18O5/c1-4-5-14-18(23)17-16(10-15(22)11(2)19(17)24-3)25-20(14)12-6-8-13(21)9-7-12/h4,6-10,21-22H,1,5H2,2-3H3
InChIKeySOVPTKJIUUUIJJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.92
Rot. Bonds4

About 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one

7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one (PubChem CID 123677692) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one
PubChem CID123677692
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one
SMILESC=CCc1c(-c2ccc(O)cc2)oc2cc(O)c(C)c(OC)c2c1=O
InChIInChI=1S/C20H18O5/c1-4-5-14-18(23)17-16(10-15(22)11(2)19(17)24-3)25-20(14)12-6-8-13(21)9-7-12/h4,6-10,21-22H,1,5H2,2-3H3
InChIKeySOVPTKJIUUUIJJ-UHFFFAOYSA-N
XLogP3.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one
CID 141233837
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
CID 135027989
5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
CID 91601169
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955
7-hydroxy-3-(4-hydroxyphenyl)-2,6-dimethoxy-5-methylperoxychromen-4-one
CID 91587475
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]chromen-4-one
CID 25116816
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
CID 91374192
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58667503

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one?
The IUPAC name of 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one (CID 123677692) is 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one is C=CCc1c(-c2ccc(O)cc2)oc2cc(O)c(C)c(OC)c2c1=O.
What is the InChIKey of 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one?
The InChIKey is SOVPTKJIUUUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-4-5-14-18(23)17-16(10-15(22)11(2)19(17)24-3)25-20(14)12-6-8-13(21)9-7-12/h4,6-10,21-22H,1,5H2,2-3H3.
What are the key properties of 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one?
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one has a molecular weight of 338.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one is sourced from PubChem (CID 123677692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).