(2-hydroxyphenyl) 2-hydroxyacetate

C8H8O4 — CID 54356800

IUPAC(2-hydroxyphenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccccc1O
InChIInChI=1S/C8H8O4/c9-5-8(11)12-7-4-2-1-3-6(7)10/h1-4,9-10H,5H2
InChIKeyUJQUSUKKFFVEBS-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.29
Rot. Bonds2

About (2-hydroxyphenyl) 2-hydroxyacetate

(2-hydroxyphenyl) 2-hydroxyacetate (PubChem CID 54356800) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2-hydroxyphenyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 2-hydroxyacetate
PubChem CID54356800
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(2-hydroxyphenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccccc1O
InChIInChI=1S/C8H8O4/c9-5-8(11)12-7-4-2-1-3-6(7)10/h1-4,9-10H,5H2
InChIKeyUJQUSUKKFFVEBS-UHFFFAOYSA-N
XLogP0.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551
(2-hydroxyphenyl) 4-chlorobutanoate
CID 69126445
CID 173408230
CID 173408230
(2-hydroxyphenyl) 2-thiophen-2-ylacetate
CID 91700994
(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
CID 143527744
(E)-4-[2-(2-hydroxyphenoxy)-2-oxoethoxy]-3-methyl-4-oxobut-2-enoic acid
CID 141075910
(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate
CID 141214958
(2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride
CID 141066516
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694
[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate
CID 174387822
(2-hydroxyphenyl) 2-[bis(hydroxymethyl)amino]-2-(hydroxymethyl)-3-methylbutanoate
CID 67114839

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 2-hydroxyacetate?
The IUPAC name of (2-hydroxyphenyl) 2-hydroxyacetate (CID 54356800) is (2-hydroxyphenyl) 2-hydroxyacetate.
What is the SMILES notation for (2-hydroxyphenyl) 2-hydroxyacetate?
The canonical SMILES for (2-hydroxyphenyl) 2-hydroxyacetate is O=C(CO)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) 2-hydroxyacetate?
The InChIKey is UJQUSUKKFFVEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c9-5-8(11)12-7-4-2-1-3-6(7)10/h1-4,9-10H,5H2.
What are the key properties of (2-hydroxyphenyl) 2-hydroxyacetate?
(2-hydroxyphenyl) 2-hydroxyacetate has a molecular weight of 168.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 2-hydroxyacetate is sourced from PubChem (CID 54356800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).