7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate

C16H11O5- — CID 164575986

IUPAC7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
SMILESCOc1ccc(-c2cc(=O)c3ccc(O)c([O-])c3o2)cc1
InChIInChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)14-8-13(18)11-6-7-12(17)15(19)16(11)21-14/h2-8,17,19H,1H3/p-1
InChIKeyRURKPPYMSHZUEY-UHFFFAOYSA-M
MW283.26 g/mol
LogP2.25
Rot. Bonds2

About 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate

7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate (PubChem CID 164575986) has the molecular formula C16H11O5- and a molecular weight of 283.26 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate.

Molecular Properties

Compound Name7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
PubChem CID164575986
Molecular FormulaC16H11O5-
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
SMILESCOc1ccc(-c2cc(=O)c3ccc(O)c([O-])c3o2)cc1
InChIInChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)14-8-13(18)11-6-7-12(17)15(19)16(11)21-14/h2-8,17,19H,1H3/p-1
InChIKeyRURKPPYMSHZUEY-UHFFFAOYSA-M
XLogP2.25
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
6,8-difluoro-2-(4-methoxyphenyl)chromen-4-one
CID 171716334
6,8-diamino-2-(4-methoxyphenyl)chromen-4-one
CID 139992876
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 15870477
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
CID 175811145
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate?
The IUPAC name of 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate (CID 164575986) is 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate.
What is the SMILES notation for 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate?
The canonical SMILES for 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate is COc1ccc(-c2cc(=O)c3ccc(O)c([O-])c3o2)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate?
The InChIKey is RURKPPYMSHZUEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)14-8-13(18)11-6-7-12(17)15(19)16(11)21-14/h2-8,17,19H,1H3/p-1.
What are the key properties of 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate?
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate has a molecular weight of 283.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate is sourced from PubChem (CID 164575986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).