4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol

C26H26N4O2 — CID 12561013

IUPAC4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol
SMILESOc1ccc(C(NNc2ccccc2)C(NNc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H26N4O2/c31-23-15-11-19(12-16-23)25(29-27-21-7-3-1-4-8-21)26(20-13-17-24(32)18-14-20)30-28-22-9-5-2-6-10-22/h1-18,25-32H
InChIKeyCTLQTPGEOVCDQY-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.11
Rot. Bonds9

About 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol

4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol (PubChem CID 12561013) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol
PubChem CID12561013
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol
SMILESOc1ccc(C(NNc2ccccc2)C(NNc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H26N4O2/c31-23-15-11-19(12-16-23)25(29-27-21-7-3-1-4-8-21)26(20-13-17-24(32)18-14-20)30-28-22-9-5-2-6-10-22/h1-18,25-32H
InChIKeyCTLQTPGEOVCDQY-UHFFFAOYSA-N
XLogP5.11
TPSA88.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500426.52
LogP ≤ 55.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol (CID 12561013) is 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol is Oc1ccc(C(NNc2ccccc2)C(NNc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol?
The InChIKey is CTLQTPGEOVCDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-23-15-11-19(12-16-23)25(29-27-21-7-3-1-4-8-21)26(20-13-17-24(32)18-14-20)30-28-22-9-5-2-6-10-22/h1-18,25-32H.
What are the key properties of 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol?
4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol has a molecular weight of 426.52 g/mol, XLogP of 5.11, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-1,2-bis(2-phenylhydrazinyl)ethyl]phenol is sourced from PubChem (CID 12561013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).