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

C15H15NO4 — CID 4224986

IUPAC2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(C(=NO)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)15(16-18)13-8-7-12(20-2)9-14(13)17/h3-9,17-18H,1-2H3
InChIKeyKOXRLUOOKPNXPL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.64
Rot. Bonds4

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

2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol (PubChem CID 4224986) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
PubChem CID4224986
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(C(=NO)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)15(16-18)13-8-7-12(20-2)9-14(13)17/h3-9,17-18H,1-2H3
InChIKeyKOXRLUOOKPNXPL-UHFFFAOYSA-N
XLogP2.64
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 58928302
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
CID 88635833
2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
CID 136832737
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea
CID 135589391
2-[N-(6-hydroxyhexyl)-C-phenylcarbonimidoyl]-5-methoxyphenol
CID 168888120
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 162650517
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745

Frequently Asked Questions

What is the IUPAC name of 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol?
The IUPAC name of 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol (CID 4224986) is 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol.
What is the SMILES notation for 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol?
The canonical SMILES for 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol is COc1ccc(C(=NO)c2ccc(OC)cc2O)cc1.
What is the InChIKey of 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol?
The InChIKey is KOXRLUOOKPNXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)15(16-18)13-8-7-12(20-2)9-14(13)17/h3-9,17-18H,1-2H3.
What are the key properties of 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol?
2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol has a molecular weight of 273.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol is sourced from PubChem (CID 4224986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).