3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one

C16H12O6 — CID 175305896

IUPAC3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1oc2ccc(O)c(O)c2c(=O)c1O
InChIInChI=1S/C16H12O6/c1-21-10-5-3-2-4-8(10)16-15(20)14(19)12-11(22-16)7-6-9(17)13(12)18/h2-7,17-18,20H,1H3
InChIKeyXXGCRUXXCIOKJS-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds2

About 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one

3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one (PubChem CID 175305896) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
PubChem CID175305896
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1oc2ccc(O)c(O)c2c(=O)c1O
InChIInChI=1S/C16H12O6/c1-21-10-5-3-2-4-8(10)16-15(20)14(19)12-11(22-16)7-6-9(17)13(12)18/h2-7,17-18,20H,1H3
InChIKeyXXGCRUXXCIOKJS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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CID 141478271
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CID 172643077
3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141464819
1,2,6-trihydroxy-8-methoxyxanthen-9-one
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3-methoxy-2-(2-methoxyphenyl)chromen-4-one
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1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947
[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
CID 67869250
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid
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3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one?
The IUPAC name of 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one (CID 175305896) is 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one is COc1ccccc1-c1oc2ccc(O)c(O)c2c(=O)c1O.
What is the InChIKey of 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one?
The InChIKey is XXGCRUXXCIOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-10-5-3-2-4-8(10)16-15(20)14(19)12-11(22-16)7-6-9(17)13(12)18/h2-7,17-18,20H,1H3.
What are the key properties of 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one?
3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-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 3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 175305896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).