3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one

C16H12O7 — CID 46879792

IUPAC3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
SMILESCOc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
InChIInChI=1S/C16H12O7/c1-22-16-10(18)3-2-8(15(16)21)9-6-23-12-5-7(17)4-11(19)13(12)14(9)20/h2-6,17-19,21H,1H3
InChIKeySIWJGAYTMXOGHW-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.29
Rot. Bonds2

About 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one

3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one (PubChem CID 46879792) has the molecular formula C16H12O7 and a molecular weight of 316.27 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
PubChem CID46879792
Molecular FormulaC16H12O7
Molecular Weight316.27 g/mol
Exact Mass316.06
IUPAC Name3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
SMILESCOc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
InChIInChI=1S/C16H12O7/c1-22-16-10(18)3-2-8(15(16)21)9-6-23-12-5-7(17)4-11(19)13(12)14(9)20/h2-6,17-19,21H,1H3
InChIKeySIWJGAYTMXOGHW-UHFFFAOYSA-N
XLogP2.29
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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Octabenzone
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Apigenin
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one (CID 46879792) is 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one is COc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O.
What is the InChIKey of 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one?
The InChIKey is SIWJGAYTMXOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O7/c1-22-16-10(18)3-2-8(15(16)21)9-6-23-12-5-7(17)4-11(19)13(12)14(9)20/h2-6,17-19,21H,1H3.
What are the key properties of 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one?
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one has a molecular weight of 316.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 46879792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).