(2-propan-2-yloxyphenyl) 2-hydroxyacetate

C11H14O4 — CID 159030551

IUPAC(2-propan-2-yloxyphenyl) 2-hydroxyacetate
SMILESCC(C)Oc1ccccc1OC(=O)CO
InChIInChI=1S/C11H14O4/c1-8(2)14-9-5-3-4-6-10(9)15-11(13)7-12/h3-6,8,12H,7H2,1-2H3
InChIKeyVKZXSKLIMLAFFR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.37
Rot. Bonds4

About (2-propan-2-yloxyphenyl) 2-hydroxyacetate

(2-propan-2-yloxyphenyl) 2-hydroxyacetate (PubChem CID 159030551) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl) 2-hydroxyacetate
PubChem CID159030551
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2-propan-2-yloxyphenyl) 2-hydroxyacetate
SMILESCC(C)Oc1ccccc1OC(=O)CO
InChIInChI=1S/C11H14O4/c1-8(2)14-9-5-3-4-6-10(9)15-11(13)7-12/h3-6,8,12H,7H2,1-2H3
InChIKeyVKZXSKLIMLAFFR-UHFFFAOYSA-N
XLogP1.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.37
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-propan-2-yloxyphenyl) octanoate
CID 573469
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
1-O-(2-methylpropyl) 5-O-(2-propan-2-yloxyphenyl) pentanedioate
CID 91707252
4-O-(2-methylpentan-3-yl) 1-O-(2-propan-2-yloxyphenyl) butanedioate
CID 91704635
1-O-(3-chlorophenyl) 5-O-(2-propan-2-yloxyphenyl) pentanedioate
CID 91704648
4-O-(2-propan-2-yloxyphenyl) 1-O-propyl (E)-but-2-enedioate
CID 91716983
(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate
CID 71409285
N-methyl-1-(2-propan-2-yloxyphenoxy)ethenamine
CID 89130545
[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
(2-propan-2-yloxyphenyl) 4-(trifluoromethyl)benzoate
CID 599426
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl) 2-hydroxyacetate?
The IUPAC name of (2-propan-2-yloxyphenyl) 2-hydroxyacetate (CID 159030551) is (2-propan-2-yloxyphenyl) 2-hydroxyacetate.
What is the SMILES notation for (2-propan-2-yloxyphenyl) 2-hydroxyacetate?
The canonical SMILES for (2-propan-2-yloxyphenyl) 2-hydroxyacetate is CC(C)Oc1ccccc1OC(=O)CO.
What is the InChIKey of (2-propan-2-yloxyphenyl) 2-hydroxyacetate?
The InChIKey is VKZXSKLIMLAFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(2)14-9-5-3-4-6-10(9)15-11(13)7-12/h3-6,8,12H,7H2,1-2H3.
What are the key properties of (2-propan-2-yloxyphenyl) 2-hydroxyacetate?
(2-propan-2-yloxyphenyl) 2-hydroxyacetate has a molecular weight of 210.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl) 2-hydroxyacetate is sourced from PubChem (CID 159030551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).