ethyl 2-(4-hydroxyanilino)acetate;hydrochloride

C10H14ClNO3 — CID 68734163

IUPACethyl 2-(4-hydroxyanilino)acetate;hydrochloride
SMILESCCOC(=O)CNc1ccc(O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-2-14-10(13)7-11-8-3-5-9(12)6-4-8;/h3-6,11-12H,2,7H2,1H3;1H
InChIKeyJCVVIDCZJKLORP-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-(4-hydroxyanilino)acetate;hydrochloride

ethyl 2-(4-hydroxyanilino)acetate;hydrochloride (PubChem CID 68734163) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyanilino)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyanilino)acetate;hydrochloride
PubChem CID68734163
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Nameethyl 2-(4-hydroxyanilino)acetate;hydrochloride
SMILESCCOC(=O)CNc1ccc(O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-2-14-10(13)7-11-8-3-5-9(12)6-4-8;/h3-6,11-12H,2,7H2,1H3;1H
InChIKeyJCVVIDCZJKLORP-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(4-hydroxyanilino)acetate
CID 22630351
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
ethyl 2-(3,4-dihydroxyanilino)acetate
CID 22630378
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
ethyl 2-(3-hydroxyanilino)acetate
CID 22630327
ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
CID 170102656
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
4-methylpentyl 2-(4-hydroxyanilino)acetate
CID 61303683
2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
CID 106448108
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxyanilino)acetate;hydrochloride?
The IUPAC name of ethyl 2-(4-hydroxyanilino)acetate;hydrochloride (CID 68734163) is ethyl 2-(4-hydroxyanilino)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(4-hydroxyanilino)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(4-hydroxyanilino)acetate;hydrochloride is CCOC(=O)CNc1ccc(O)cc1.Cl.
What is the InChIKey of ethyl 2-(4-hydroxyanilino)acetate;hydrochloride?
The InChIKey is JCVVIDCZJKLORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-2-14-10(13)7-11-8-3-5-9(12)6-4-8;/h3-6,11-12H,2,7H2,1H3;1H.
What are the key properties of ethyl 2-(4-hydroxyanilino)acetate;hydrochloride?
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxyanilino)acetate;hydrochloride is sourced from PubChem (CID 68734163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).