(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol

C22H20N2O4 — CID 171358364

IUPAC(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
SMILESCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C/C2=N\Nc1ccccc1
InChIInChI=1S/C22H20N2O4/c1-27-17-11-19(26)22-18(24-23-15-5-3-2-4-6-15)13-20(28-21(22)12-17)14-7-9-16(25)10-8-14/h2-12,20,23,25-26H,13H2,1H3/b24-18+/t20-/m0/s1
InChIKeyHMLIIMCFTGWXMF-AYBPGSHHSA-N
MW376.41 g/mol
LogP4.45
Rot. Bonds4

About (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol

(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol (PubChem CID 171358364) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol.

Molecular Properties

Compound Name(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
PubChem CID171358364
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
SMILESCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C/C2=N\Nc1ccccc1
InChIInChI=1S/C22H20N2O4/c1-27-17-11-19(26)22-18(24-23-15-5-3-2-4-6-15)13-20(28-21(22)12-17)14-7-9-16(25)10-8-14/h2-12,20,23,25-26H,13H2,1H3/b24-18+/t20-/m0/s1
InChIKeyHMLIIMCFTGWXMF-AYBPGSHHSA-N
XLogP4.45
TPSA83.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
CID 177439381
5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
CID 42608070
5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
(2R)-2-(3-hydroxy-4-methoxyphenyl)-4-(1-phenylethylimino)-7-phenylmethoxy-2,3-dihydrochromen-5-ol
CID 171379420
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
(2S)-2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 171345011
2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162207047
(2S)-2-[4-[3-[(1-benzylpiperidin-4-yl)amino]-2-hydroxypropoxy]phenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 171345974
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
4-chloro-N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]aniline
CID 7415283

Frequently Asked Questions

What is the IUPAC name of (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
The IUPAC name of (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol (CID 171358364) is (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol.
What is the SMILES notation for (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
The canonical SMILES for (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol is COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C/C2=N\Nc1ccccc1.
What is the InChIKey of (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
The InChIKey is HMLIIMCFTGWXMF-AYBPGSHHSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-17-11-19(26)22-18(24-23-15-5-3-2-4-6-15)13-20(28-21(22)12-17)14-7-9-16(25)10-8-14/h2-12,20,23,25-26H,13H2,1H3/b24-18+/t20-/m0/s1.
What are the key properties of (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol has a molecular weight of 376.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol is sourced from PubChem (CID 171358364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).