2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol

C21H22N2O2 — CID 137304510

IUPAC2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/NCc2ccc3ccccc3c2)c(O)c1
InChIInChI=1S/C21H22N2O2/c1-2-11-25-20-10-9-19(21(24)13-20)15-23-22-14-16-7-8-17-5-3-4-6-18(17)12-16/h3-10,12-13,15,22,24H,2,11,14H2,1H3/b23-15+
InChIKeyLCXXPJIWZFHUKM-HZHRSRAPSA-N
MW334.42 g/mol
LogP4.46
Rot. Bonds7

About 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol

2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol (PubChem CID 137304510) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol
PubChem CID137304510
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/NCc2ccc3ccccc3c2)c(O)c1
InChIInChI=1S/C21H22N2O2/c1-2-11-25-20-10-9-19(21(24)13-20)15-23-22-14-16-7-8-17-5-3-4-6-18(17)12-16/h3-10,12-13,15,22,24H,2,11,14H2,1H3/b23-15+
InChIKeyLCXXPJIWZFHUKM-HZHRSRAPSA-N
XLogP4.46
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.46
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

1-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136244614
2-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136244615
2-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136254385
1-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136254470
2-[5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136239520
2-(5-(2,4,6-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol
CID 136254471
N'-[(E)-(2,4-diethoxyphenyl)methylidene]naphthalene-1-carbohydrazide
CID 25252623
5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol
CID 137314309
5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137316429
5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137317590
2-methyl-5-[1-[(2E)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]naphthalen-1-yl]methylidene]hydrazinyl]ethenyl]phenol
CID 141936067
3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742278

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol?
The IUPAC name of 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol (CID 137304510) is 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol?
The canonical SMILES for 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol is CCCOc1ccc(/C=N/NCc2ccc3ccccc3c2)c(O)c1.
What is the InChIKey of 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol?
The InChIKey is LCXXPJIWZFHUKM-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-11-25-20-10-9-19(21(24)13-20)15-23-22-14-16-7-8-17-5-3-4-6-18(17)12-16/h3-10,12-13,15,22,24H,2,11,14H2,1H3/b23-15+.
What are the key properties of 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol?
2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol has a molecular weight of 334.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol is sourced from PubChem (CID 137304510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).