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

C23H22N2O4 — CID 171344177

IUPAC(2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
SMILESCOc1ccc([C@@H]2C/C(=N\Nc3ccccc3)c3c(O)cc(OC)cc3O2)cc1
InChIInChI=1S/C23H22N2O4/c1-27-17-10-8-15(9-11-17)21-14-19(25-24-16-6-4-3-5-7-16)23-20(26)12-18(28-2)13-22(23)29-21/h3-13,21,24,26H,14H2,1-2H3/b25-19+/t21-/m0/s1
InChIKeySCWCIZOGRIFXCD-ARCUFYBBSA-N
MW390.44 g/mol
LogP4.75
Rot. Bonds5

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

(2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol (PubChem CID 171344177) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol.

Molecular Properties

Compound Name(2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
PubChem CID171344177
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
SMILESCOc1ccc([C@@H]2C/C(=N\Nc3ccccc3)c3c(O)cc(OC)cc3O2)cc1
InChIInChI=1S/C23H22N2O4/c1-27-17-10-8-15(9-11-17)21-14-19(25-24-16-6-4-3-5-7-16)23-20(26)12-18(28-2)13-22(23)29-21/h3-13,21,24,26H,14H2,1-2H3/b25-19+/t21-/m0/s1
InChIKeySCWCIZOGRIFXCD-ARCUFYBBSA-N
XLogP4.75
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
The IUPAC name of (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol (CID 171344177) is (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol.
What is the SMILES notation for (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
The canonical SMILES for (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol is COc1ccc([C@@H]2C/C(=N\Nc3ccccc3)c3c(O)cc(OC)cc3O2)cc1.
What is the InChIKey of (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
The InChIKey is SCWCIZOGRIFXCD-ARCUFYBBSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-17-10-8-15(9-11-17)21-14-19(25-24-16-6-4-3-5-7-16)23-20(26)12-18(28-2)13-22(23)29-21/h3-13,21,24,26H,14H2,1-2H3/b25-19+/t21-/m0/s1.
What are the key properties of (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol?
(2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol has a molecular weight of 390.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol is sourced from PubChem (CID 171344177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).