methyl 2-phenylacetate;pyridine

C14H15NO2 — CID 22282999

IUPACmethyl 2-phenylacetate;pyridine
SMILESCOC(=O)Cc1ccccc1.c1ccncc1
InChIInChI=1S/C9H10O2.C5H5N/c1-11-9(10)7-8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H,7H2,1H3;1-5H
InChIKeyODLDGZPXIZTEEZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.48
Rot. Bonds2

About methyl 2-phenylacetate;pyridine

methyl 2-phenylacetate;pyridine (PubChem CID 22282999) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-phenylacetate;pyridine.

Molecular Properties

Compound Namemethyl 2-phenylacetate;pyridine
PubChem CID22282999
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-phenylacetate;pyridine
SMILESCOC(=O)Cc1ccccc1.c1ccncc1
InChIInChI=1S/C9H10O2.C5H5N/c1-11-9(10)7-8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H,7H2,1H3;1-5H
InChIKeyODLDGZPXIZTEEZ-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylacetyl) 2-phenylacetate;pyridine
CID 88818246
CID 172801156
CID 172801156
carbon dioxide;methyl 2-phenylacetate
CID 159198536
bis(benzenecarbothioic S-acid);methyl 2-phenylacetate
CID 87890916
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
CID 177349061
2-phenylacetamide;pyridine
CID 22283001
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
(2-phenylacetyl) propanoate
CID 91029268
CID 174393592
CID 174393592
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylacetate;pyridine?
The IUPAC name of methyl 2-phenylacetate;pyridine (CID 22282999) is methyl 2-phenylacetate;pyridine.
What is the SMILES notation for methyl 2-phenylacetate;pyridine?
The canonical SMILES for methyl 2-phenylacetate;pyridine is COC(=O)Cc1ccccc1.c1ccncc1.
What is the InChIKey of methyl 2-phenylacetate;pyridine?
The InChIKey is ODLDGZPXIZTEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C5H5N/c1-11-9(10)7-8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H,7H2,1H3;1-5H.
What are the key properties of methyl 2-phenylacetate;pyridine?
methyl 2-phenylacetate;pyridine has a molecular weight of 229.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylacetate;pyridine is sourced from PubChem (CID 22282999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).