2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol

C16H17NO2 — CID 827773

IUPAC2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol
SMILESCCOc1ccc(/N=C(\C)c2ccccc2O)cc1
InChIInChI=1S/C16H17NO2/c1-3-19-14-10-8-13(9-11-14)17-12(2)15-6-4-5-7-16(15)18/h4-11,18H,3H2,1-2H3/b17-12+
InChIKeyVWTJQBPDALEPKS-SFQUDFHCSA-N
MW255.32 g/mol
LogP3.93
Rot. Bonds4

About 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol

2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol (PubChem CID 827773) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol
PubChem CID827773
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol
SMILESCCOc1ccc(/N=C(\C)c2ccccc2O)cc1
InChIInChI=1S/C16H17NO2/c1-3-19-14-10-8-13(9-11-14)17-12(2)15-6-4-5-7-16(15)18/h4-11,18H,3H2,1-2H3/b17-12+
InChIKeyVWTJQBPDALEPKS-SFQUDFHCSA-N
XLogP3.93
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol (CID 827773) is 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol is CCOc1ccc(/N=C(\C)c2ccccc2O)cc1.
What is the InChIKey of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol?
The InChIKey is VWTJQBPDALEPKS-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-19-14-10-8-13(9-11-14)17-12(2)15-6-4-5-7-16(15)18/h4-11,18H,3H2,1-2H3/b17-12+.
What are the key properties of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol?
2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol has a molecular weight of 255.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 827773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).