2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one

C20H20O6 — CID 130230703

IUPAC2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
SMILESCOc1cc(C)cc2oc(-c3ccc(OCC(O)CO)cc3)cc(=O)c12
InChIInChI=1S/C20H20O6/c1-12-7-18(24-2)20-16(23)9-17(26-19(20)8-12)13-3-5-15(6-4-13)25-11-14(22)10-21/h3-9,14,21-22H,10-11H2,1-2H3
InChIKeyVEBSVKYAZVPLAQ-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one

2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one (PubChem CID 130230703) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one.

Molecular Properties

Compound Name2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
PubChem CID130230703
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
SMILESCOc1cc(C)cc2oc(-c3ccc(OCC(O)CO)cc3)cc(=O)c12
InChIInChI=1S/C20H20O6/c1-12-7-18(24-2)20-16(23)9-17(26-19(20)8-12)13-3-5-15(6-4-13)25-11-14(22)10-21/h3-9,14,21-22H,10-11H2,1-2H3
InChIKeyVEBSVKYAZVPLAQ-UHFFFAOYSA-N
XLogP2.51
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
CID 19049226
[5-[7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenyl] 2-methylpropanoate
CID 19049260
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
CID 159111191
5-[2-hydroxy-3-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]oxypropoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 13302213
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 177372719
5,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 162954034
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one?
The IUPAC name of 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one (CID 130230703) is 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one.
What is the SMILES notation for 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one?
The canonical SMILES for 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one is COc1cc(C)cc2oc(-c3ccc(OCC(O)CO)cc3)cc(=O)c12.
What is the InChIKey of 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one?
The InChIKey is VEBSVKYAZVPLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-12-7-18(24-2)20-16(23)9-17(26-19(20)8-12)13-3-5-15(6-4-13)25-11-14(22)10-21/h3-9,14,21-22H,10-11H2,1-2H3.
What are the key properties of 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one?
2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one has a molecular weight of 356.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one is sourced from PubChem (CID 130230703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).