4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one

C23H18N2O3 — CID 56928517

IUPAC4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one
SMILESO=c1cc(/C=N\Nc2ccccc2)c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C23H18N2O3/c26-23-13-18(15-24-25-19-9-5-2-6-10-19)21-12-11-20(14-22(21)28-23)27-16-17-7-3-1-4-8-17/h1-15,25H,16H2/b24-15-
InChIKeyDEJNIQGXPYDKDT-IWIPYMOSSA-N
MW370.41 g/mol
LogP4.82
Rot. Bonds6

About 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one

4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one (PubChem CID 56928517) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one
PubChem CID56928517
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one
SMILESO=c1cc(/C=N\Nc2ccccc2)c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C23H18N2O3/c26-23-13-18(15-24-25-19-9-5-2-6-10-19)21-12-11-20(14-22(21)28-23)27-16-17-7-3-1-4-8-17/h1-15,25H,16H2/b24-15-
InChIKeyDEJNIQGXPYDKDT-IWIPYMOSSA-N
XLogP4.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one?
The IUPAC name of 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one (CID 56928517) is 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one?
The canonical SMILES for 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one is O=c1cc(/C=N\Nc2ccccc2)c2ccc(OCc3ccccc3)cc2o1.
What is the InChIKey of 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one?
The InChIKey is DEJNIQGXPYDKDT-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-23-13-18(15-24-25-19-9-5-2-6-10-19)21-12-11-20(14-22(21)28-23)27-16-17-7-3-1-4-8-17/h1-15,25H,16H2/b24-15-.
What are the key properties of 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one?
4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one has a molecular weight of 370.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 56928517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).