N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide

C15H16N2O3 — CID 107109785

IUPACN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16N2O3/c1-10-3-2-4-13(15(16)17-19)14(10)20-12-7-5-11(9-18)6-8-12/h2-8,18-19H,9H2,1H3,(H2,16,17)
InChIKeyITLMTZMJZBKUOL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.37
Rot. Bonds4

About N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide

N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide (PubChem CID 107109785) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
PubChem CID107109785
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16N2O3/c1-10-3-2-4-13(15(16)17-19)14(10)20-12-7-5-11(9-18)6-8-12/h2-8,18-19H,9H2,1H3,(H2,16,17)
InChIKeyITLMTZMJZBKUOL-UHFFFAOYSA-N
XLogP2.37
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109802
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
2-(4-ethylphenoxy)-3-methylbenzenecarbothioamide
CID 107108780
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide (CID 107109785) is N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1Oc1ccc(CO)cc1.
What is the InChIKey of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide?
The InChIKey is ITLMTZMJZBKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-3-2-4-13(15(16)17-19)14(10)20-12-7-5-11(9-18)6-8-12/h2-8,18-19H,9H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide?
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide has a molecular weight of 272.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).