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

C17H22N2O2 — CID 169385201

IUPAC2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(CNNc2ccccc2)c1O
InChIInChI=1S/C17H22N2O2/c1-12(2)13-9-14(17(20)16(10-13)21-3)11-18-19-15-7-5-4-6-8-15/h4-10,12,18-20H,11H2,1-3H3
InChIKeyNCHXJLZKOSBSEC-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.64
Rot. Bonds6

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

2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol (PubChem CID 169385201) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol
PubChem CID169385201
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(CNNc2ccccc2)c1O
InChIInChI=1S/C17H22N2O2/c1-12(2)13-9-14(17(20)16(10-13)21-3)11-18-19-15-7-5-4-6-8-15/h4-10,12,18-20H,11H2,1-3H3
InChIKeyNCHXJLZKOSBSEC-UHFFFAOYSA-N
XLogP3.64
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol
CID 169384588
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
CID 117301823
3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117384048
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386351
[5-methyl-3-[(2-phenylhydrazinyl)methyl]-2-propan-2-yloxyphenyl]boronic acid
CID 169385533
2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385241

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol?
The IUPAC name of 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol (CID 169385201) is 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol is COc1cc(C(C)C)cc(CNNc2ccccc2)c1O.
What is the InChIKey of 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol?
The InChIKey is NCHXJLZKOSBSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)13-9-14(17(20)16(10-13)21-3)11-18-19-15-7-5-4-6-8-15/h4-10,12,18-20H,11H2,1-3H3.
What are the key properties of 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol?
2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol has a molecular weight of 286.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol is sourced from PubChem (CID 169385201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).