2-methoxy-2-phenylacetate

C9H9O3- — CID 4569340

IUPAC2-methoxy-2-phenylacetate
SMILESCOC(C(=O)[O-])c1ccccc1
InChIInChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/p-1
InChIKeyDIWVBIXQCNRCFE-UHFFFAOYSA-M
MW165.17 g/mol
LogP0.12
Rot. Bonds3

About 2-methoxy-2-phenylacetate

2-methoxy-2-phenylacetate (PubChem CID 4569340) has the molecular formula C9H9O3- and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name2-methoxy-2-phenylacetate
PubChem CID4569340
Molecular FormulaC9H9O3-
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-methoxy-2-phenylacetate
SMILESCOC(C(=O)[O-])c1ccccc1
InChIInChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/p-1
InChIKeyDIWVBIXQCNRCFE-UHFFFAOYSA-M
XLogP0.12
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

disodium;2-[carboxylato(phenyl)methoxy]-2-phenylacetate
CID 91666684
CID 59883683
CID 59883683
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate
CID 6920360
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenylacetate?
The IUPAC name of 2-methoxy-2-phenylacetate (CID 4569340) is 2-methoxy-2-phenylacetate.
What is the SMILES notation for 2-methoxy-2-phenylacetate?
The canonical SMILES for 2-methoxy-2-phenylacetate is COC(C(=O)[O-])c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenylacetate?
The InChIKey is DIWVBIXQCNRCFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/p-1.
What are the key properties of 2-methoxy-2-phenylacetate?
2-methoxy-2-phenylacetate has a molecular weight of 165.17 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenylacetate is sourced from PubChem (CID 4569340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).