5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one

C16H12O6 — CID 5280862

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
SMILESCOc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
InChIKeyVJJZJBUCDWKPLC-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds2

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one (PubChem CID 5280862) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
PubChem CID5280862
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
SMILESCOc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
InChIKeyVJJZJBUCDWKPLC-UHFFFAOYSA-N
XLogP2.59
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 139505378
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 139505486
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 152927752
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one;2-(3,4-dihydroxyphenyl)-6-hydroperoxy-5,7-dihydroxy-3-methoxychromen-4-one
CID 161246973
4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-hydroxy-6-methoxyphenolate
CID 90658078
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one (CID 5280862) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one is COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
The InChIKey is VJJZJBUCDWKPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one has a molecular weight of 300.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one is sourced from PubChem (CID 5280862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).