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

C16H12O5 — CID 5280448

IUPAC7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O
InChIInChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
InChIKeyZZAJQOPSWWVMBI-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

About 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one

7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one (PubChem CID 5280448) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
PubChem CID5280448
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O
InChIInChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
InChIKeyZZAJQOPSWWVMBI-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

Analyze 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quercetin
CID 5280343
Genistein
CID 5280961
Tangeretin
CID 68077
Taxifolin
CID 439533
Isoquercetin
CID 5280804
Myricetin
CID 5281672
Octabenzone
CID 15797
Apigenin
CID 5280443
Diosmetin
CID 5281612
2-Hydroxy-4-methoxybenzophenone
CID 4632
Silibinin
CID 31553
Epigallocatechin Gallate
CID 65064

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one (CID 5280448) is 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O.
What is the InChIKey of 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The InChIKey is ZZAJQOPSWWVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3.
What are the key properties of 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
7-hydroxy-3-(3-hydroxy-4-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 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5280448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).