phenyl (2S)-2-methoxypropanoate

C10H12O3 — CID 12621314

IUPACphenyl (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)Oc1ccccc1
InChIInChI=1S/C10H12O3/c1-8(12-2)10(11)13-9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1
InChIKeyDKUMBNWOUFJXQH-QMMMGPOBSA-N
MW180.20 g/mol
LogP1.63
Rot. Bonds3

About phenyl (2S)-2-methoxypropanoate

phenyl (2S)-2-methoxypropanoate (PubChem CID 12621314) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is phenyl (2S)-2-methoxypropanoate.

Molecular Properties

Compound Namephenyl (2S)-2-methoxypropanoate
PubChem CID12621314
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namephenyl (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)Oc1ccccc1
InChIInChI=1S/C10H12O3/c1-8(12-2)10(11)13-9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1
InChIKeyDKUMBNWOUFJXQH-QMMMGPOBSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
phenyl 2-(hydroxyamino)propanoate
CID 88707618
phenyl 2-phenylmethoxypropanoate
CID 15731819
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267
methyl (4-phenoxyphenyl) carbonate
CID 19704468
phenyl 3-amino-2-hydroxybutanoate
CID 174562761
phenyl 2-bromo-3-methylbutanoate
CID 11832060
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol
CID 158199044
methoxycarbonyl 2-phenoxypropanoate
CID 174370299

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-methoxypropanoate?
The IUPAC name of phenyl (2S)-2-methoxypropanoate (CID 12621314) is phenyl (2S)-2-methoxypropanoate.
What is the SMILES notation for phenyl (2S)-2-methoxypropanoate?
The canonical SMILES for phenyl (2S)-2-methoxypropanoate is CO[C@@H](C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S)-2-methoxypropanoate?
The InChIKey is DKUMBNWOUFJXQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(12-2)10(11)13-9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1.
What are the key properties of phenyl (2S)-2-methoxypropanoate?
phenyl (2S)-2-methoxypropanoate has a molecular weight of 180.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-methoxypropanoate is sourced from PubChem (CID 12621314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).