(2-hydroxyphenyl)methyl 2-methylpropanimidate

C11H15NO2 — CID 58806992

IUPAC(2-hydroxyphenyl)methyl 2-methylpropanimidate
SMILES[H]/N=C(/OCc1ccccc1O)C(C)C
InChIInChI=1S/C11H15NO2/c1-8(2)11(12)14-7-9-5-3-4-6-10(9)13/h3-6,8,12-13H,7H2,1-2H3/b12-11+
InChIKeyWNZNVNJQNDDYPH-VAWYXSNFSA-N
MW193.25 g/mol
LogP2.54
Rot. Bonds3

About (2-hydroxyphenyl)methyl 2-methylpropanimidate

(2-hydroxyphenyl)methyl 2-methylpropanimidate (PubChem CID 58806992) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2-hydroxyphenyl)methyl 2-methylpropanimidate.

Molecular Properties

Compound Name(2-hydroxyphenyl)methyl 2-methylpropanimidate
PubChem CID58806992
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2-hydroxyphenyl)methyl 2-methylpropanimidate
SMILES[H]/N=C(/OCc1ccccc1O)C(C)C
InChIInChI=1S/C11H15NO2/c1-8(2)11(12)14-7-9-5-3-4-6-10(9)13/h3-6,8,12-13H,7H2,1-2H3/b12-11+
InChIKeyWNZNVNJQNDDYPH-VAWYXSNFSA-N
XLogP2.54
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
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-(Ethoxymethyl)phenol
CID 3486665
2-(4',4'-Dimethyl-3',4'-dihydrooxazol-2'-yl)phenol
CID 3074828
Salicyl ether
CID 241207
Phenol, 2-(methoxymethyl)-
CID 182079
Ethyl 4-hydroxybenzimidate hydrochloride
CID 135442973
Methylhydroxybenzimidate
CID 98895
2-Hydroxyphenyl-imido-ethylether
CID 167939
Methyl 4-hydroxybenzimidate hydrochloride
CID 135889529
2-(4,5-Dihydro-1,3-oxazol-2-yl)phenol
CID 346894
(S)-2-(4-Isopropyl-4,5-dihydrooxazol-2-yl)phenol
CID 135399781
2-(4-Methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 137193005
2-(Ethoxymethyl)benzene-1,4-diol
CID 49842555

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methyl 2-methylpropanimidate?
The IUPAC name of (2-hydroxyphenyl)methyl 2-methylpropanimidate (CID 58806992) is (2-hydroxyphenyl)methyl 2-methylpropanimidate.
What is the SMILES notation for (2-hydroxyphenyl)methyl 2-methylpropanimidate?
The canonical SMILES for (2-hydroxyphenyl)methyl 2-methylpropanimidate is [H]/N=C(/OCc1ccccc1O)C(C)C.
What is the InChIKey of (2-hydroxyphenyl)methyl 2-methylpropanimidate?
The InChIKey is WNZNVNJQNDDYPH-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)11(12)14-7-9-5-3-4-6-10(9)13/h3-6,8,12-13H,7H2,1-2H3/b12-11+.
What are the key properties of (2-hydroxyphenyl)methyl 2-methylpropanimidate?
(2-hydroxyphenyl)methyl 2-methylpropanimidate has a molecular weight of 193.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methyl 2-methylpropanimidate is sourced from PubChem (CID 58806992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).