[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium

C14H14N2O3 — CID 140913976

IUPAC[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium
SMILESCOc1ccc(/[N+]([O-])=N/c2ccc(CO)cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-19-14-8-6-13(7-9-14)16(18)15-12-4-2-11(10-17)3-5-12/h2-9,17H,10H2,1H3/b16-15-
InChIKeyRMHXWVSEGDXCLD-NXVVXOECSA-N
MW258.28 g/mol
LogP3.11
Rot. Bonds4

About [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium

[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium (PubChem CID 140913976) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium
PubChem CID140913976
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium
SMILESCOc1ccc(/[N+]([O-])=N/c2ccc(CO)cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-19-14-8-6-13(7-9-14)16(18)15-12-4-2-11(10-17)3-5-12/h2-9,17H,10H2,1H3/b16-15-
InChIKeyRMHXWVSEGDXCLD-NXVVXOECSA-N
XLogP3.11
TPSA67.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
(4-methoxyphenyl)methanol
CID 7738
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 135433724
sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 136668916
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
CID 21449610
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
[4-(hydroxymethyl)phenyl]methyl N'-(4-methoxyphenyl)carbamimidothioate
CID 110004688
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium?
The IUPAC name of [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium (CID 140913976) is [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium?
The canonical SMILES for [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium is COc1ccc(/[N+]([O-])=N/c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium?
The InChIKey is RMHXWVSEGDXCLD-NXVVXOECSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-14-8-6-13(7-9-14)16(18)15-12-4-2-11(10-17)3-5-12/h2-9,17H,10H2,1H3/b16-15-.
What are the key properties of [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium?
[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium has a molecular weight of 258.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium is sourced from PubChem (CID 140913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).