benzyl 2-hydroxyacetate

C9H10O3 — CID 561337

IUPACbenzyl 2-hydroxyacetate
SMILESO=C(CO)OCc1ccccc1
InChIInChI=1S/C9H10O3/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyVPYJBEIOKFRWQZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.72
Rot. Bonds3

About benzyl 2-hydroxyacetate

benzyl 2-hydroxyacetate (PubChem CID 561337) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is benzyl 2-hydroxyacetate.

Molecular Properties

Compound Namebenzyl 2-hydroxyacetate
PubChem CID561337
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Namebenzyl 2-hydroxyacetate
SMILESO=C(CO)OCc1ccccc1
InChIInChI=1S/C9H10O3/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyVPYJBEIOKFRWQZ-UHFFFAOYSA-N
XLogP0.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxyacetate?
The IUPAC name of benzyl 2-hydroxyacetate (CID 561337) is benzyl 2-hydroxyacetate.
What is the SMILES notation for benzyl 2-hydroxyacetate?
The canonical SMILES for benzyl 2-hydroxyacetate is O=C(CO)OCc1ccccc1.
What is the InChIKey of benzyl 2-hydroxyacetate?
The InChIKey is VPYJBEIOKFRWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of benzyl 2-hydroxyacetate?
benzyl 2-hydroxyacetate has a molecular weight of 166.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxyacetate is sourced from PubChem (CID 561337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).