(2S)-2-(2-methylphenoxy)propanoate

C10H11O3- — CID 6957172

IUPAC(2S)-2-(2-methylphenoxy)propanoate
SMILESCc1ccccc1O[C@@H](C)C(=O)[O-]
InChIInChI=1S/C10H12O3/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyYIGXGYDKDDWZLS-QMMMGPOBSA-M
MW179.19 g/mol
LogP0.51
Rot. Bonds3

About (2S)-2-(2-methylphenoxy)propanoate

(2S)-2-(2-methylphenoxy)propanoate (PubChem CID 6957172) has the molecular formula C10H11O3- and a molecular weight of 179.19 g/mol. Its IUPAC name is (2S)-2-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name(2S)-2-(2-methylphenoxy)propanoate
PubChem CID6957172
Molecular FormulaC10H11O3-
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(2S)-2-(2-methylphenoxy)propanoate
SMILESCc1ccccc1O[C@@H](C)C(=O)[O-]
InChIInChI=1S/C10H12O3/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyYIGXGYDKDDWZLS-QMMMGPOBSA-M
XLogP0.51
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
1-methyl-3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]thiourea
CID 40648931
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
2-(3,4-dimethylphenoxy)propanoate
CID 4744716
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenoxy)propanoate?
The IUPAC name of (2S)-2-(2-methylphenoxy)propanoate (CID 6957172) is (2S)-2-(2-methylphenoxy)propanoate.
What is the SMILES notation for (2S)-2-(2-methylphenoxy)propanoate?
The canonical SMILES for (2S)-2-(2-methylphenoxy)propanoate is Cc1ccccc1O[C@@H](C)C(=O)[O-].
What is the InChIKey of (2S)-2-(2-methylphenoxy)propanoate?
The InChIKey is YIGXGYDKDDWZLS-QMMMGPOBSA-M. The full InChI is InChI=1S/C10H12O3/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/p-1/t8-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenoxy)propanoate?
(2S)-2-(2-methylphenoxy)propanoate has a molecular weight of 179.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenoxy)propanoate is sourced from PubChem (CID 6957172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).