(2S)-2-methoxy-2-phenylacetic acid

C9H10O3 — CID 643325

IUPAC(2S)-2-methoxy-2-phenylacetic acid
SMILESCO[C@H](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)/t8-/m0/s1
InChIKeyDIWVBIXQCNRCFE-QMMMGPOBSA-N
MW166.18 g/mol
LogP1.46
Rot. Bonds3

About (2S)-2-methoxy-2-phenylacetic acid

(2S)-2-methoxy-2-phenylacetic acid (PubChem CID 643325) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenylacetic acid
PubChem CID643325
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(2S)-2-methoxy-2-phenylacetic acid
SMILESCO[C@H](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)/t8-/m0/s1
InChIKeyDIWVBIXQCNRCFE-QMMMGPOBSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenylacetic acid?
The IUPAC name of (2S)-2-methoxy-2-phenylacetic acid (CID 643325) is (2S)-2-methoxy-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-methoxy-2-phenylacetic acid?
The canonical SMILES for (2S)-2-methoxy-2-phenylacetic acid is CO[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenylacetic acid?
The InChIKey is DIWVBIXQCNRCFE-QMMMGPOBSA-N. 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)/t8-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenylacetic acid?
(2S)-2-methoxy-2-phenylacetic acid has a molecular weight of 166.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenylacetic acid is sourced from PubChem (CID 643325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).