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

C17H14O5 — CID 20514160

IUPAC7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1c(OC)oc2cc(O)ccc2c1=O
InChIInChI=1S/C17H14O5/c1-20-13-6-4-3-5-11(13)15-16(19)12-8-7-10(18)9-14(12)22-17(15)21-2/h3-9,18H,1-2H3
InChIKeyOXFPPXOUMCJYCV-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

About 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one

7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one (PubChem CID 20514160) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
PubChem CID20514160
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1c(OC)oc2cc(O)ccc2c1=O
InChIInChI=1S/C17H14O5/c1-20-13-6-4-3-5-11(13)15-16(19)12-8-7-10(18)9-14(12)22-17(15)21-2/h3-9,18H,1-2H3
InChIKeyOXFPPXOUMCJYCV-UHFFFAOYSA-N
XLogP3.18
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one (CID 20514160) is 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one is COc1ccccc1-c1c(OC)oc2cc(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one?
The InChIKey is OXFPPXOUMCJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-13-6-4-3-5-11(13)15-16(19)12-8-7-10(18)9-14(12)22-17(15)21-2/h3-9,18H,1-2H3.
What are the key properties of 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one?
7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one has a molecular weight of 298.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 20514160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).