7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate

C16H11O5- — CID 86289529

IUPAC7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
SMILESCOc1c(O)cc([O-])c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3/p-1
InChIKeyXLTFNNCXVBYBSX-UHFFFAOYSA-M
MW283.26 g/mol
LogP2.25
Rot. Bonds2

About 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate

7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate (PubChem CID 86289529) has the molecular formula C16H11O5- and a molecular weight of 283.26 g/mol. Its IUPAC name is 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate.

Molecular Properties

Compound Name7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
PubChem CID86289529
Molecular FormulaC16H11O5-
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
SMILESCOc1c(O)cc([O-])c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3/p-1
InChIKeyXLTFNNCXVBYBSX-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

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
7-hydroxy-8-methoxy-2-phenyl-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 177417287
5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one
CID 164597629
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
CID 171395717
(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
CID 125039156
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
2-[4-(5-bromopentyl)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one;ethane;methane
CID 164861386

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate?
The IUPAC name of 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate (CID 86289529) is 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate.
What is the SMILES notation for 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate?
The canonical SMILES for 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate is COc1c(O)cc([O-])c2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate?
The InChIKey is XLTFNNCXVBYBSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3/p-1.
What are the key properties of 7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate?
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-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-8-methoxy-4-oxo-2-phenylchromen-5-olate is sourced from PubChem (CID 86289529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).