4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol

C15H17ClN2O — CID 83005626

IUPAC4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol
SMILESCN(C)NC(c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-18(2)17-15(11-3-7-13(16)8-4-11)12-5-9-14(19)10-6-12/h3-10,15,17,19H,1-2H3
InChIKeyRKDCXGILHHJIAJ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.20
Rot. Bonds4

About 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol

4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol (PubChem CID 83005626) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol
PubChem CID83005626
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol
SMILESCN(C)NC(c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-18(2)17-15(11-3-7-13(16)8-4-11)12-5-9-14(19)10-6-12/h3-10,15,17,19H,1-2H3
InChIKeyRKDCXGILHHJIAJ-UHFFFAOYSA-N
XLogP3.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol?
The IUPAC name of 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol (CID 83005626) is 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol?
The canonical SMILES for 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol is CN(C)NC(c1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol?
The InChIKey is RKDCXGILHHJIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(2)17-15(11-3-7-13(16)8-4-11)12-5-9-14(19)10-6-12/h3-10,15,17,19H,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol?
4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol has a molecular weight of 276.77 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol is sourced from PubChem (CID 83005626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).