2-hydroxyethyl 2-phenylacetate

C10H12O3 — CID 10954123

IUPAC2-hydroxyethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCO
InChIInChI=1S/C10H12O3/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyMXPGOHNLWNVPJS-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.76
Rot. Bonds4

About 2-hydroxyethyl 2-phenylacetate

2-hydroxyethyl 2-phenylacetate (PubChem CID 10954123) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-hydroxyethyl 2-phenylacetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-phenylacetate
PubChem CID10954123
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-hydroxyethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCO
InChIInChI=1S/C10H12O3/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyMXPGOHNLWNVPJS-UHFFFAOYSA-N
XLogP0.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-phenylacetate?
The IUPAC name of 2-hydroxyethyl 2-phenylacetate (CID 10954123) is 2-hydroxyethyl 2-phenylacetate.
What is the SMILES notation for 2-hydroxyethyl 2-phenylacetate?
The canonical SMILES for 2-hydroxyethyl 2-phenylacetate is O=C(Cc1ccccc1)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-phenylacetate?
The InChIKey is MXPGOHNLWNVPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of 2-hydroxyethyl 2-phenylacetate?
2-hydroxyethyl 2-phenylacetate has a molecular weight of 180.20 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-phenylacetate is sourced from PubChem (CID 10954123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).