3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C16H12O5 — CID 625119

IUPAC3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3ccccc3c(=O)c2O)ccc1O
InChIInChI=1S/C16H12O5/c1-20-13-8-9(6-7-11(13)17)16-15(19)14(18)10-4-2-3-5-12(10)21-16/h2-8,17,19H,1H3
InChIKeyYONDROKMQHIDPQ-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

About 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (PubChem CID 625119) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
PubChem CID625119
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3ccccc3c(=O)c2O)ccc1O
InChIInChI=1S/C16H12O5/c1-20-13-8-9(6-7-11(13)17)16-15(19)14(18)10-4-2-3-5-12(10)21-16/h2-8,17,19H,1H3
InChIKeyYONDROKMQHIDPQ-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (CID 625119) is 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is COc1cc(-c2oc3ccccc3c(=O)c2O)ccc1O.
What is the InChIKey of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The InChIKey is YONDROKMQHIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-13-8-9(6-7-11(13)17)16-15(19)14(18)10-4-2-3-5-12(10)21-16/h2-8,17,19H,1H3.
What are the key properties of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one has a molecular weight of 284.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 625119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).