2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol

C16H17NO2 — CID 136832737

IUPAC2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
SMILESCC/N=C(\c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C16H17NO2/c1-3-17-16(12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)18/h4-11,18H,3H2,1-2H3/b17-16+
InChIKeyJNQCCCJLUGYTFL-WUKNDPDISA-N
MW255.32 g/mol
LogP3.26
Rot. Bonds4

About 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol

2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol (PubChem CID 136832737) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
PubChem CID136832737
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
SMILESCC/N=C(\c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C16H17NO2/c1-3-17-16(12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)18/h4-11,18H,3H2,1-2H3/b17-16+
InChIKeyJNQCCCJLUGYTFL-WUKNDPDISA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol
CID 168888120
5-methoxy-2-(1-phenylethenyl)phenol
CID 11064138
2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
CID 175499515
CID 175499515
CID 172864174
CID 172864174
5-methoxy-2-[C-phenyl-N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]carbonimidoyl]phenol
CID 137267134
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
CID 158222494
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol?
The IUPAC name of 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol (CID 136832737) is 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol.
What is the SMILES notation for 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol?
The canonical SMILES for 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol is CC/N=C(\c1ccccc1)c1ccc(OC)cc1O.
What is the InChIKey of 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol?
The InChIKey is JNQCCCJLUGYTFL-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-17-16(12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)18/h4-11,18H,3H2,1-2H3/b17-16+.
What are the key properties of 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol?
2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol has a molecular weight of 255.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol is sourced from PubChem (CID 136832737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).