3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one

C16H12O6 — CID 5281666

IUPAC3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
InChIKeySQFSKOYWJBQGKQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds2

About 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one

3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 5281666) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID5281666
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
InChIKeySQFSKOYWJBQGKQ-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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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one (CID 5281666) is 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1.
What is the InChIKey of 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is SQFSKOYWJBQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3.
What are the key properties of 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one?
3,5,7-trihydroxy-2-(4-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 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5281666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).