2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid

C21H20N2O3 — CID 169386885

IUPAC2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
SMILESO=C(O)C(Oc1ccc(CNNc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c24-21(25)20(17-7-3-1-4-8-17)26-19-13-11-16(12-14-19)15-22-23-18-9-5-2-6-10-18/h1-14,20,22-23H,15H2,(H,24,25)
InChIKeyBDFDSHBGWIEOGH-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.01
Rot. Bonds8

About 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid

2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid (PubChem CID 169386885) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
PubChem CID169386885
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
SMILESO=C(O)C(Oc1ccc(CNNc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c24-21(25)20(17-7-3-1-4-8-17)26-19-13-11-16(12-14-19)15-22-23-18-9-5-2-6-10-18/h1-14,20,22-23H,15H2,(H,24,25)
InChIKeyBDFDSHBGWIEOGH-UHFFFAOYSA-N
XLogP4.01
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.01
H-Bond Donors ≤ 53
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 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
The IUPAC name of 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid (CID 169386885) is 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid is O=C(O)C(Oc1ccc(CNNc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
The InChIKey is BDFDSHBGWIEOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-21(25)20(17-7-3-1-4-8-17)26-19-13-11-16(12-14-19)15-22-23-18-9-5-2-6-10-18/h1-14,20,22-23H,15H2,(H,24,25).
What are the key properties of 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 169386885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).