(2S)-2-(3-ethylphenoxy)propanoic acid

C11H14O3 — CID 10845483

IUPAC(2S)-2-(3-ethylphenoxy)propanoic acid
SMILESCCc1cccc(O[C@@H](C)C(=O)O)c1
InChIInChI=1S/C11H14O3/c1-3-9-5-4-6-10(7-9)14-8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyOLQUIZHAFQKZAH-QMMMGPOBSA-N
MW194.23 g/mol
LogP2.10
Rot. Bonds4

About (2S)-2-(3-ethylphenoxy)propanoic acid

(2S)-2-(3-ethylphenoxy)propanoic acid (PubChem CID 10845483) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-(3-ethylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-ethylphenoxy)propanoic acid
PubChem CID10845483
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2S)-2-(3-ethylphenoxy)propanoic acid
SMILESCCc1cccc(O[C@@H](C)C(=O)O)c1
InChIInChI=1S/C11H14O3/c1-3-9-5-4-6-10(7-9)14-8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyOLQUIZHAFQKZAH-QMMMGPOBSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylphenoxy)ethanol
CID 66709778
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
2-[3-[(3-aminopropylamino)methyl]phenoxy]propanoic acid
CID 70806512
(2R)-2-[3-(3-methylsulfonyloxypropyl)phenoxy]propanoic acid
CID 87488117
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
(3-ethylphenyl) 3-methylbutanoate
CID 91711230
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethylphenoxy)propanoic acid?
The IUPAC name of (2S)-2-(3-ethylphenoxy)propanoic acid (CID 10845483) is (2S)-2-(3-ethylphenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(3-ethylphenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(3-ethylphenoxy)propanoic acid is CCc1cccc(O[C@@H](C)C(=O)O)c1.
What is the InChIKey of (2S)-2-(3-ethylphenoxy)propanoic acid?
The InChIKey is OLQUIZHAFQKZAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-9-5-4-6-10(7-9)14-8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-(3-ethylphenoxy)propanoic acid?
(2S)-2-(3-ethylphenoxy)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethylphenoxy)propanoic acid is sourced from PubChem (CID 10845483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).