1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine

C22H22N2O2 — CID 169386819

IUPAC1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine
SMILESc1ccc(NNCc2ccc(-c3ccc(C4OCCO4)cc3)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-4-21(5-3-1)24-23-16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-25-14-15-26-22/h1-13,22-24H,14-16H2
InChIKeyIQRJTSRSCANACM-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.52
Rot. Bonds6

About 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine

1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine (PubChem CID 169386819) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine
PubChem CID169386819
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine
SMILESc1ccc(NNCc2ccc(-c3ccc(C4OCCO4)cc3)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-4-21(5-3-1)24-23-16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-25-14-15-26-22/h1-13,22-24H,14-16H2
InChIKeyIQRJTSRSCANACM-UHFFFAOYSA-N
XLogP4.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine (CID 169386819) is 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine is c1ccc(NNCc2ccc(-c3ccc(C4OCCO4)cc3)cc2)cc1.
What is the InChIKey of 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine?
The InChIKey is IQRJTSRSCANACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-4-21(5-3-1)24-23-16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-25-14-15-26-22/h1-13,22-24H,14-16H2.
What are the key properties of 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine?
1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine has a molecular weight of 346.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).