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

C16H12O4 — CID 70491116

IUPAC7-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2ccc3c(=O)ccoc3c2)ccc1O
InChIInChI=1S/C16H12O4/c1-19-16-9-11(3-5-14(16)18)10-2-4-12-13(17)6-7-20-15(12)8-10/h2-9,18H,1H3
InChIKeyCVFUUIGRFVWCIJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.17
Rot. Bonds2

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

7-(4-hydroxy-3-methoxyphenyl)chromen-4-one (PubChem CID 70491116) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-(4-hydroxy-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-(4-hydroxy-3-methoxyphenyl)chromen-4-one
PubChem CID70491116
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2ccc3c(=O)ccoc3c2)ccc1O
InChIInChI=1S/C16H12O4/c1-19-16-9-11(3-5-14(16)18)10-2-4-12-13(17)6-7-20-15(12)8-10/h2-9,18H,1H3
InChIKeyCVFUUIGRFVWCIJ-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-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-(4-hydroxy-3-methoxyphenyl)chromen-4-one (CID 70491116) is 7-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-(4-hydroxy-3-methoxyphenyl)chromen-4-one is COc1cc(-c2ccc3c(=O)ccoc3c2)ccc1O.
What is the InChIKey of 7-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The InChIKey is CVFUUIGRFVWCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-16-9-11(3-5-14(16)18)10-2-4-12-13(17)6-7-20-15(12)8-10/h2-9,18H,1H3.
What are the key properties of 7-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
7-(4-hydroxy-3-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-(4-hydroxy-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 70491116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).