[2-(2-hydroxyacetyl)phenyl] acetate

C10H10O4 — CID 101117820

IUPAC[2-(2-hydroxyacetyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)CO
InChIInChI=1S/C10H10O4/c1-7(12)14-10-5-3-2-4-8(10)9(13)6-11/h2-5,11H,6H2,1H3
InChIKeySKPPUOAYXGLOFQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.79
Rot. Bonds3

About [2-(2-hydroxyacetyl)phenyl] acetate

[2-(2-hydroxyacetyl)phenyl] acetate (PubChem CID 101117820) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is [2-(2-hydroxyacetyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2-hydroxyacetyl)phenyl] acetate
PubChem CID101117820
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name[2-(2-hydroxyacetyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)CO
InChIInChI=1S/C10H10O4/c1-7(12)14-10-5-3-2-4-8(10)9(13)6-11/h2-5,11H,6H2,1H3
InChIKeySKPPUOAYXGLOFQ-UHFFFAOYSA-N
XLogP0.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-aminoacetyl)phenyl] acetate
CID 129189924
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
zinc;bis(2-acetyloxybenzoate);dihydrate
CID 139063518
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
[2-[2-(benzylideneamino)acetyl]phenyl] acetate
CID 101443233
[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]phenyl] acetate
CID 91810847
[2-(4,4-dinitrooxybutanoyl)phenyl] acetate
CID 157185999
2-[2-(2-hydroxyacetyl)phenoxy]acetic acid
CID 23600039

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyacetyl)phenyl] acetate?
The IUPAC name of [2-(2-hydroxyacetyl)phenyl] acetate (CID 101117820) is [2-(2-hydroxyacetyl)phenyl] acetate.
What is the SMILES notation for [2-(2-hydroxyacetyl)phenyl] acetate?
The canonical SMILES for [2-(2-hydroxyacetyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)CO.
What is the InChIKey of [2-(2-hydroxyacetyl)phenyl] acetate?
The InChIKey is SKPPUOAYXGLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(12)14-10-5-3-2-4-8(10)9(13)6-11/h2-5,11H,6H2,1H3.
What are the key properties of [2-(2-hydroxyacetyl)phenyl] acetate?
[2-(2-hydroxyacetyl)phenyl] acetate has a molecular weight of 194.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyacetyl)phenyl] acetate is sourced from PubChem (CID 101117820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).