ethyl 2-phenylacetate

C10H12O2 — CID 7590

IUPACethyl 2-phenylacetate
SMILESCCOC(=O)Cc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyDULCUDSUACXJJC-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.79
Rot. Bonds3

About ethyl 2-phenylacetate

ethyl 2-phenylacetate (PubChem CID 7590) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is ethyl 2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-phenylacetate
PubChem CID7590
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Nameethyl 2-phenylacetate
SMILESCCOC(=O)Cc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyDULCUDSUACXJJC-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
1-ethoxyethenyl 2-phenylacetate
CID 11264222
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
triethyl 2-(2-phenylacetyl)oxypropane-1,2,3-tricarboxylate
CID 175186027
CID 57459210
CID 57459210
acetyloxymethyl 2-phenylacetate
CID 121486345
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
CID 70059375
(2-phenylacetyl) propanoate
CID 91029268
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl carbamate;2-phenylacetic acid
CID 153376104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylacetate?
The IUPAC name of ethyl 2-phenylacetate (CID 7590) is ethyl 2-phenylacetate.
What is the SMILES notation for ethyl 2-phenylacetate?
The canonical SMILES for ethyl 2-phenylacetate is CCOC(=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-phenylacetate?
The InChIKey is DULCUDSUACXJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-phenylacetate?
ethyl 2-phenylacetate has a molecular weight of 164.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylacetate is sourced from PubChem (CID 7590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).