methyl 4-hydroxybenzenecarboximidate;hydrochloride

C8H10ClNO2 — CID 135889529

IUPACmethyl 4-hydroxybenzenecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OC)c1ccc(O)cc1
InChIInChI=1S/C8H9NO2.ClH/c1-11-8(9)6-2-4-7(10)5-3-6;/h2-5,9-10H,1H3;1H/b9-8-;
InChIKeyLUGNZZHPWPZWQF-UOQXYWCXSA-N
MW187.63 g/mol
LogP1.79
Rot. Bonds1

About methyl 4-hydroxybenzenecarboximidate;hydrochloride

methyl 4-hydroxybenzenecarboximidate;hydrochloride (PubChem CID 135889529) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is methyl 4-hydroxybenzenecarboximidate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-hydroxybenzenecarboximidate;hydrochloride
PubChem CID135889529
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Namemethyl 4-hydroxybenzenecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OC)c1ccc(O)cc1
InChIInChI=1S/C8H9NO2.ClH/c1-11-8(9)6-2-4-7(10)5-3-6;/h2-5,9-10H,1H3;1H/b9-8-;
InChIKeyLUGNZZHPWPZWQF-UOQXYWCXSA-N
XLogP1.79
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxybenzenecarboximidate;hydrochloride?
The IUPAC name of methyl 4-hydroxybenzenecarboximidate;hydrochloride (CID 135889529) is methyl 4-hydroxybenzenecarboximidate;hydrochloride.
What is the SMILES notation for methyl 4-hydroxybenzenecarboximidate;hydrochloride?
The canonical SMILES for methyl 4-hydroxybenzenecarboximidate;hydrochloride is Cl.[H]/N=C(\OC)c1ccc(O)cc1.
What is the InChIKey of methyl 4-hydroxybenzenecarboximidate;hydrochloride?
The InChIKey is LUGNZZHPWPZWQF-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-11-8(9)6-2-4-7(10)5-3-6;/h2-5,9-10H,1H3;1H/b9-8-;.
What are the key properties of methyl 4-hydroxybenzenecarboximidate;hydrochloride?
methyl 4-hydroxybenzenecarboximidate;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxybenzenecarboximidate;hydrochloride is sourced from PubChem (CID 135889529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).