3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol

C21H18N2O3 — CID 91173663

IUPAC3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol
SMILESOc1ccc(C2=C(NNc3ccccc3)c3ccc(O)cc3OC2)cc1
InChIInChI=1S/C21H18N2O3/c24-16-8-6-14(7-9-16)19-13-26-20-12-17(25)10-11-18(20)21(19)23-22-15-4-2-1-3-5-15/h1-12,22-25H,13H2
InChIKeyCVZCEBZUHBQXHI-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.98
Rot. Bonds4

About 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol

3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol (PubChem CID 91173663) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol
PubChem CID91173663
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol
SMILESOc1ccc(C2=C(NNc3ccccc3)c3ccc(O)cc3OC2)cc1
InChIInChI=1S/C21H18N2O3/c24-16-8-6-14(7-9-16)19-13-26-20-12-17(25)10-11-18(20)21(19)23-22-15-4-2-1-3-5-15/h1-12,22-25H,13H2
InChIKeyCVZCEBZUHBQXHI-UHFFFAOYSA-N
XLogP3.98
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol (CID 91173663) is 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol is Oc1ccc(C2=C(NNc3ccccc3)c3ccc(O)cc3OC2)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol?
The InChIKey is CVZCEBZUHBQXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-16-8-6-14(7-9-16)19-13-26-20-12-17(25)10-11-18(20)21(19)23-22-15-4-2-1-3-5-15/h1-12,22-25H,13H2.
What are the key properties of 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol?
3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol has a molecular weight of 346.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-(2-phenylhydrazinyl)-2H-chromen-7-ol is sourced from PubChem (CID 91173663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).