(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol

C15H13NO5 — CID 177439381

IUPAC(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
SMILESO/N=C1\C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H13NO5/c17-9-3-1-8(2-4-9)13-7-11(16-20)15-12(19)5-10(18)6-14(15)21-13/h1-6,13,17-20H,7H2/b16-11+/t13-/m0/s1
InChIKeyUTHNTUVUMCHRAT-XDUBLRSXSA-N
MW287.27 g/mol
LogP2.51
Rot. Bonds1

About (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol

(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol (PubChem CID 177439381) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol.

Molecular Properties

Compound Name(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
PubChem CID177439381
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
SMILESO/N=C1\C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H13NO5/c17-9-3-1-8(2-4-9)13-7-11(16-20)15-12(19)5-10(18)6-14(15)21-13/h1-6,13,17-20H,7H2/b16-11+/t13-/m0/s1
InChIKeyUTHNTUVUMCHRAT-XDUBLRSXSA-N
XLogP2.51
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
CID 171358364
(2S)-8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212229
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;bis(5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one);bis(5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydrochromen-4-one)
CID 161273005
(2S)-6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212227
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
(2R)-2-(4-hydroxyphenyl)-2H-chromene-3,4,5,7-tetrol
CID 132527547

Frequently Asked Questions

What is the IUPAC name of (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
The IUPAC name of (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol (CID 177439381) is (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol.
What is the SMILES notation for (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
The canonical SMILES for (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol is O/N=C1\C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.
What is the InChIKey of (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
The InChIKey is UTHNTUVUMCHRAT-XDUBLRSXSA-N. The full InChI is InChI=1S/C15H13NO5/c17-9-3-1-8(2-4-9)13-7-11(16-20)15-12(19)5-10(18)6-14(15)21-13/h1-6,13,17-20H,7H2/b16-11+/t13-/m0/s1.
What are the key properties of (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol?
(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol has a molecular weight of 287.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol is sourced from PubChem (CID 177439381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).