N',2-dihydroxy-5-phenoxybenzenecarboximidamide

C13H12N2O3 — CID 136821696

IUPACN',2-dihydroxy-5-phenoxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(Oc2ccccc2)ccc1O
InChIInChI=1S/C13H12N2O3/c14-13(15-17)11-8-10(6-7-12(11)16)18-9-4-2-1-3-5-9/h1-8,16-17H,(H2,14,15)
InChIKeyTWJNPLPMRXTJKJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.28
Rot. Bonds3

About N',2-dihydroxy-5-phenoxybenzenecarboximidamide

N',2-dihydroxy-5-phenoxybenzenecarboximidamide (PubChem CID 136821696) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N',2-dihydroxy-5-phenoxybenzenecarboximidamide.

Molecular Properties

Compound NameN',2-dihydroxy-5-phenoxybenzenecarboximidamide
PubChem CID136821696
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN',2-dihydroxy-5-phenoxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(Oc2ccccc2)ccc1O
InChIInChI=1S/C13H12N2O3/c14-13(15-17)11-8-10(6-7-12(11)16)18-9-4-2-1-3-5-9/h1-8,16-17H,(H2,14,15)
InChIKeyTWJNPLPMRXTJKJ-UHFFFAOYSA-N
XLogP2.28
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.28
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-2-phenoxybenzenecarboximidamide
CID 51603436
N',2-dihydroxybenzenecarboximidamide
CID 4227476
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
2-methyl-4-phenoxyphenol
CID 23089676
2-iodo-4-phenoxyphenol
CID 10710201
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-amino-4-(4-phenylphenoxy)phenol
CID 141458116
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418

Frequently Asked Questions

What is the IUPAC name of N',2-dihydroxy-5-phenoxybenzenecarboximidamide?
The IUPAC name of N',2-dihydroxy-5-phenoxybenzenecarboximidamide (CID 136821696) is N',2-dihydroxy-5-phenoxybenzenecarboximidamide.
What is the SMILES notation for N',2-dihydroxy-5-phenoxybenzenecarboximidamide?
The canonical SMILES for N',2-dihydroxy-5-phenoxybenzenecarboximidamide is N/C(=N\O)c1cc(Oc2ccccc2)ccc1O.
What is the InChIKey of N',2-dihydroxy-5-phenoxybenzenecarboximidamide?
The InChIKey is TWJNPLPMRXTJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-13(15-17)11-8-10(6-7-12(11)16)18-9-4-2-1-3-5-9/h1-8,16-17H,(H2,14,15).
What are the key properties of N',2-dihydroxy-5-phenoxybenzenecarboximidamide?
N',2-dihydroxy-5-phenoxybenzenecarboximidamide has a molecular weight of 244.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dihydroxy-5-phenoxybenzenecarboximidamide is sourced from PubChem (CID 136821696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).