2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol

C15H15NO3 — CID 4154047

IUPAC2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(C(=NO)c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(16-18)13-8-7-12(19-2)9-14(13)17/h3-9,17-18H,1-2H3
InChIKeyTVYFHWNEXYXZPU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.94
Rot. Bonds3

About 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol

2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol (PubChem CID 4154047) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
PubChem CID4154047
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(C(=NO)c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(16-18)13-8-7-12(19-2)9-14(13)17/h3-9,17-18H,1-2H3
InChIKeyTVYFHWNEXYXZPU-UHFFFAOYSA-N
XLogP2.94
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
CID 88635833
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea
CID 135589391
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
CID 136832737
(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 58928302
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol
CID 168888120
4-methoxyphenol;4-methylphenol
CID 158312507

Frequently Asked Questions

What is the IUPAC name of 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol?
The IUPAC name of 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol (CID 4154047) is 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol.
What is the SMILES notation for 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol?
The canonical SMILES for 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol is COc1ccc(C(=NO)c2ccc(C)cc2)c(O)c1.
What is the InChIKey of 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol?
The InChIKey is TVYFHWNEXYXZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(16-18)13-8-7-12(19-2)9-14(13)17/h3-9,17-18H,1-2H3.
What are the key properties of 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol?
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol has a molecular weight of 257.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol is sourced from PubChem (CID 4154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).