N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide

C10H14N2O3 — CID 141009945

IUPACN'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
SMILESCC(O)COc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C10H14N2O3/c1-7(13)6-15-9-4-2-3-8(5-9)10(11)12-14/h2-5,7,13-14H,6H2,1H3,(H2,11,12)
InChIKeyMREZXLRVPOEHIQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.54
Rot. Bonds4

About N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide

N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide (PubChem CID 141009945) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
PubChem CID141009945
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
SMILESCC(O)COc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C10H14N2O3/c1-7(13)6-15-9-4-2-3-8(5-9)10(11)12-14/h2-5,7,13-14H,6H2,1H3,(H2,11,12)
InChIKeyMREZXLRVPOEHIQ-UHFFFAOYSA-N
XLogP0.54
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.54
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-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361
3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
N'-hydroxy-3-(1-hydroxyethyl)benzenecarboximidamide
CID 87091093
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-hydroxypropoxy)benzonitrile
CID 54593211

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide (CID 141009945) is N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide is CC(O)COc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide?
The InChIKey is MREZXLRVPOEHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(13)6-15-9-4-2-3-8(5-9)10(11)12-14/h2-5,7,13-14H,6H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide?
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide has a molecular weight of 210.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide is sourced from PubChem (CID 141009945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).