3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one

C20H18O5 — CID 71494550

IUPAC3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one
SMILESC=CCc1c(O)ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc12
InChIInChI=1S/C20H18O5/c1-4-5-15-17(21)9-6-12-10-16(20(22)25-19(12)15)14-8-7-13(23-2)11-18(14)24-3/h4,6-11,21H,1,5H2,2-3H3
InChIKeyYSBJMYOIPWZWBX-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.91
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one

3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one (PubChem CID 71494550) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one
PubChem CID71494550
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one
SMILESC=CCc1c(O)ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc12
InChIInChI=1S/C20H18O5/c1-4-5-15-17(21)9-6-12-10-16(20(22)25-19(12)15)14-8-7-13(23-2)11-18(14)24-3/h4,6-11,21H,1,5H2,2-3H3
InChIKeyYSBJMYOIPWZWBX-UHFFFAOYSA-N
XLogP3.91
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyphenyl)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one
CID 7095053
3-(2-chlorophenyl)-7-methoxy-8-prop-2-enylchromen-2-one
CID 71494553
3-(2,5-dimethoxyphenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
CID 6235877
3-(2,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-4-methylchromen-2-one
CID 6236204
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
(3R)-1-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-2-oxochromen-8-yl]methyl]piperidine-3-carboxylic acid
CID 97161875
7-hydroxy-3,4-dimethyl-8-prop-2-enylchromen-2-one
CID 6020802
3-(2,4-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one
CID 6236055
7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
CID 14089868
[3-(2,4-dimethoxyphenyl)-2-oxochromen-7-yl] cyclopropanecarboxylate
CID 4964484
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one
CID 6983795
[3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl-dimethylazanium
CID 7094603

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one (CID 71494550) is 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one is C=CCc1c(O)ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc12.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one?
The InChIKey is YSBJMYOIPWZWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-4-5-15-17(21)9-6-12-10-16(20(22)25-19(12)15)14-8-7-13(23-2)11-18(14)24-3/h4,6-11,21H,1,5H2,2-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one?
3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one has a molecular weight of 338.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-7-hydroxy-8-prop-2-enylchromen-2-one is sourced from PubChem (CID 71494550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).