2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol

C16H18N2O2 — CID 137068734

IUPAC2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(/C=N\Nc2ccccc2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-12(2)20-15-9-8-13(16(19)10-15)11-17-18-14-6-4-3-5-7-14/h3-12,18-19H,1-2H3/b17-11-
InChIKeyICPWPLDQKPYGII-BOPFTXTBSA-N
MW270.33 g/mol
LogP3.63
Rot. Bonds5

About 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol

2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol (PubChem CID 137068734) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol
PubChem CID137068734
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(/C=N\Nc2ccccc2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-12(2)20-15-9-8-13(16(19)10-15)11-17-18-14-6-4-3-5-7-14/h3-12,18-19H,1-2H3/b17-11-
InChIKeyICPWPLDQKPYGII-BOPFTXTBSA-N
XLogP3.63
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 137074822
2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
CID 169383696
4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 137150543
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 137022225
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-4-iodobenzamide
CID 137075500
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
[4-bromo-3-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169382888
5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045
N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135613710
N-[(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 3913272
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 169382884

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol?
The IUPAC name of 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol (CID 137068734) is 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol.
What is the SMILES notation for 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol?
The canonical SMILES for 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol is CC(C)Oc1ccc(/C=N\Nc2ccccc2)c(O)c1.
What is the InChIKey of 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol?
The InChIKey is ICPWPLDQKPYGII-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(2)20-15-9-8-13(16(19)10-15)11-17-18-14-6-4-3-5-7-14/h3-12,18-19H,1-2H3/b17-11-.
What are the key properties of 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol?
2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol has a molecular weight of 270.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol is sourced from PubChem (CID 137068734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).