2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide

C14H14N2O2 — CID 63653288

IUPAC2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Oc1ccccc1CO
InChIInChI=1S/C14H14N2O2/c15-14(16)11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-17/h1-8,17H,9H2,(H3,15,16)
InChIKeyYOBSZSUPICRBDO-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide

2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 63653288) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
PubChem CID63653288
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Oc1ccccc1CO
InChIInChI=1S/C14H14N2O2/c15-14(16)11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-17/h1-8,17H,9H2,(H3,15,16)
InChIKeyYOBSZSUPICRBDO-UHFFFAOYSA-N
XLogP2.26
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712610
2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide
CID 43804671
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
CID 107712652
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide (CID 63653288) is 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1Oc1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is YOBSZSUPICRBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-14(16)11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-17/h1-8,17H,9H2,(H3,15,16).
What are the key properties of 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide?
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide has a molecular weight of 242.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 63653288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).