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

C16H12O4 — CID 5280378

IUPAC7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChIKeyHKQYGTCOTHHOMP-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.17
Rot. Bonds2

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

7-hydroxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 5280378) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID5280378
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChIKeyHKQYGTCOTHHOMP-UHFFFAOYSA-N
XLogP3.17
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one (CID 5280378) is 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is HKQYGTCOTHHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3.
What are the key properties of 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one?
7-hydroxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5280378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).