methyl (2S)-2-methoxy-2-phenylacetate

C10H12O3 — CID 11446684

IUPACmethyl (2S)-2-methoxy-2-phenylacetate
SMILESCOC(=O)[C@@H](OC)c1ccccc1
InChIInChI=1S/C10H12O3/c1-12-9(10(11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/m0/s1
InChIKeySMHXGVJSDWUGKC-VIFPVBQESA-N
MW180.20 g/mol
LogP1.55
Rot. Bonds3

About methyl (2S)-2-methoxy-2-phenylacetate

methyl (2S)-2-methoxy-2-phenylacetate (PubChem CID 11446684) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl (2S)-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-methoxy-2-phenylacetate
PubChem CID11446684
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl (2S)-2-methoxy-2-phenylacetate
SMILESCOC(=O)[C@@H](OC)c1ccccc1
InChIInChI=1S/C10H12O3/c1-12-9(10(11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/m0/s1
InChIKeySMHXGVJSDWUGKC-VIFPVBQESA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methoxy-2-phenylacetate?
The IUPAC name of methyl (2S)-2-methoxy-2-phenylacetate (CID 11446684) is methyl (2S)-2-methoxy-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-methoxy-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-methoxy-2-phenylacetate is COC(=O)[C@@H](OC)c1ccccc1.
What is the InChIKey of methyl (2S)-2-methoxy-2-phenylacetate?
The InChIKey is SMHXGVJSDWUGKC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O3/c1-12-9(10(11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-methoxy-2-phenylacetate?
methyl (2S)-2-methoxy-2-phenylacetate has a molecular weight of 180.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 11446684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).