4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol

C15H15NO3 — CID 136826320

IUPAC4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
SMILESCOc1cc(/C(Cc2ccccc2)=N\O)ccc1O
InChIInChI=1S/C15H15NO3/c1-19-15-10-12(7-8-14(15)17)13(16-18)9-11-5-3-2-4-6-11/h2-8,10,17-18H,9H2,1H3/b16-13-
InChIKeyVHDSCKGIQORYNQ-SSZFMOIBSA-N
MW257.29 g/mol
LogP2.82
Rot. Bonds4

About 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol

4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol (PubChem CID 136826320) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
PubChem CID136826320
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
SMILESCOc1cc(/C(Cc2ccccc2)=N\O)ccc1O
InChIInChI=1S/C15H15NO3/c1-19-15-10-12(7-8-14(15)17)13(16-18)9-11-5-3-2-4-6-11/h2-8,10,17-18H,9H2,1H3/b16-13-
InChIKeyVHDSCKGIQORYNQ-SSZFMOIBSA-N
XLogP2.82
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.82
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

(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 19608702
(NZ)-N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 57432829
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
CID 134924868
(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride
CID 137028253
(NZ)-N-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 6381176
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 3353937
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
CID 11321502

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol?
The IUPAC name of 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol (CID 136826320) is 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol?
The canonical SMILES for 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol is COc1cc(/C(Cc2ccccc2)=N\O)ccc1O.
What is the InChIKey of 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol?
The InChIKey is VHDSCKGIQORYNQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-15-10-12(7-8-14(15)17)13(16-18)9-11-5-3-2-4-6-11/h2-8,10,17-18H,9H2,1H3/b16-13-.
What are the key properties of 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol?
4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol has a molecular weight of 257.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol is sourced from PubChem (CID 136826320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).