2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol

C17H20N2O2 — CID 169382296

IUPAC2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(C=NNc2ccccc2)c1O
InChIInChI=1S/C17H20N2O2/c1-12(2)13-9-14(17(20)16(10-13)21-3)11-18-19-15-7-5-4-6-8-15/h4-12,19-20H,1-3H3
InChIKeyONEBWUNUPBQXNN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds5

About 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol

2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol (PubChem CID 169382296) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
PubChem CID169382296
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(C=NNc2ccccc2)c1O
InChIInChI=1S/C17H20N2O2/c1-12(2)13-9-14(17(20)16(10-13)21-3)11-18-19-15-7-5-4-6-8-15/h4-12,19-20H,1-3H3
InChIKeyONEBWUNUPBQXNN-UHFFFAOYSA-N
XLogP3.97
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.97
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

2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382336
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea
CID 168534816
2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol
CID 168529675
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 169382884
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
The IUPAC name of 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol (CID 169382296) is 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol is COc1cc(C(C)C)cc(C=NNc2ccccc2)c1O.
What is the InChIKey of 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
The InChIKey is ONEBWUNUPBQXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)13-9-14(17(20)16(10-13)21-3)11-18-19-15-7-5-4-6-8-15/h4-12,19-20H,1-3H3.
What are the key properties of 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol?
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol has a molecular weight of 284.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol is sourced from PubChem (CID 169382296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).