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

C17H14O5 — CID 5386259

IUPAC5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
InChIInChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
InChIKeyDQNLRFRBAWCJHQ-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

About 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 5386259) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID5386259
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1
InChIInChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
InChIKeyDQNLRFRBAWCJHQ-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 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (CID 5386259) is 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1.
What is the InChIKey of 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is DQNLRFRBAWCJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3.
What are the key properties of 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
5-hydroxy-7-methoxy-3-(4-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 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5386259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).