methyl 2-phenylacetate

C9H10O2 — CID 7559

IUPACmethyl 2-phenylacetate
SMILESCOC(=O)Cc1ccccc1
InChIInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyCRZQGDNQQAALAY-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.40
Rot. Bonds2

About methyl 2-phenylacetate

methyl 2-phenylacetate (PubChem CID 7559) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is methyl 2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-phenylacetate
PubChem CID7559
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Namemethyl 2-phenylacetate
SMILESCOC(=O)Cc1ccccc1
InChIInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyCRZQGDNQQAALAY-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylacetate?
The IUPAC name of methyl 2-phenylacetate (CID 7559) is methyl 2-phenylacetate.
What is the SMILES notation for methyl 2-phenylacetate?
The canonical SMILES for methyl 2-phenylacetate is COC(=O)Cc1ccccc1.
What is the InChIKey of methyl 2-phenylacetate?
The InChIKey is CRZQGDNQQAALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methyl 2-phenylacetate?
methyl 2-phenylacetate has a molecular weight of 150.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylacetate is sourced from PubChem (CID 7559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).