2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one

C17H14O5 — CID 127031650

IUPAC2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3ccc(O)cc3o2)c1OC
InChIInChI=1S/C17H14O5/c1-20-14-5-3-4-12(17(14)21-2)16-9-13(19)11-7-6-10(18)8-15(11)22-16/h3-9,18H,1-2H3
InChIKeyNZDDWJUHTNKCBF-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

About 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one

2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one (PubChem CID 127031650) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
PubChem CID127031650
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3ccc(O)cc3o2)c1OC
InChIInChI=1S/C17H14O5/c1-20-14-5-3-4-12(17(14)21-2)16-9-13(19)11-7-6-10(18)8-15(11)22-16/h3-9,18H,1-2H3
InChIKeyNZDDWJUHTNKCBF-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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Related Compounds

7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
CID 101450486
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
CID 20514160
7-hydroxy-2-phenylchromen-4-one
CID 5281894
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one (CID 127031650) is 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one is COc1cccc(-c2cc(=O)c3ccc(O)cc3o2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one?
The InChIKey is NZDDWJUHTNKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-14-5-3-4-12(17(14)21-2)16-9-13(19)11-7-6-10(18)8-15(11)22-16/h3-9,18H,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one?
2-(2,3-dimethoxyphenyl)-7-hydroxychromen-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 2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 127031650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).