5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one

C16H11NO6 — CID 130383696

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
SMILESCOc1c(N=O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIInChI=1S/C16H11NO6/c1-22-16-10(17-21)6-13-14(15(16)20)11(19)7-12(23-13)8-2-4-9(18)5-3-8/h2-7,18,20H,1H3
InChIKeyWHIBFZYFZNZRNR-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.28
Rot. Bonds3

About 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one (PubChem CID 130383696) has the molecular formula C16H11NO6 and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
PubChem CID130383696
Molecular FormulaC16H11NO6
Molecular Weight313.27 g/mol
Exact Mass313.06
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
SMILESCOc1c(N=O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIInChI=1S/C16H11NO6/c1-22-16-10(17-21)6-13-14(15(16)20)11(19)7-12(23-13)8-2-4-9(18)5-3-8/h2-7,18,20H,1H3
InChIKeyWHIBFZYFZNZRNR-UHFFFAOYSA-N
XLogP3.28
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 68743449
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626
5,7-dihydroxy-6-methoxy-2-(4-methylsulfonylphenyl)chromen-4-one
CID 57405632
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one
CID 162943028
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 129359888
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
CID 57131440

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one (CID 130383696) is 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one is COc1c(N=O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one?
The InChIKey is WHIBFZYFZNZRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO6/c1-22-16-10(17-21)6-13-14(15(16)20)11(19)7-12(23-13)8-2-4-9(18)5-3-8/h2-7,18,20H,1H3.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one?
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one has a molecular weight of 313.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one is sourced from PubChem (CID 130383696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).