ethane;(2R)-2-(2-methylphenoxy)butanoic acid

C13H20O3 — CID 143919968

IUPACethane;(2R)-2-(2-methylphenoxy)butanoic acid
SMILESCC.CC[C@@H](Oc1ccccc1C)C(=O)O
InChIInChI=1S/C11H14O3.C2H6/c1-3-9(11(12)13)14-10-7-5-4-6-8(10)2;1-2/h4-7,9H,3H2,1-2H3,(H,12,13);1-2H3/t9-;/m1./s1
InChIKeyANQDMHZAKWESMZ-SBSPUUFOSA-N
MW224.30 g/mol
LogP3.26
Rot. Bonds4

About ethane;(2R)-2-(2-methylphenoxy)butanoic acid

ethane;(2R)-2-(2-methylphenoxy)butanoic acid (PubChem CID 143919968) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethane;(2R)-2-(2-methylphenoxy)butanoic acid.

Molecular Properties

Compound Nameethane;(2R)-2-(2-methylphenoxy)butanoic acid
PubChem CID143919968
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethane;(2R)-2-(2-methylphenoxy)butanoic acid
SMILESCC.CC[C@@H](Oc1ccccc1C)C(=O)O
InChIInChI=1S/C11H14O3.C2H6/c1-3-9(11(12)13)14-10-7-5-4-6-8(10)2;1-2/h4-7,9H,3H2,1-2H3,(H,12,13);1-2H3/t9-;/m1./s1
InChIKeyANQDMHZAKWESMZ-SBSPUUFOSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
2-(2-bromophenoxy)butanoic acid
CID 18786119
N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-(2-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112518216
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2-(2-methylphenoxy)butanoic acid?
The IUPAC name of ethane;(2R)-2-(2-methylphenoxy)butanoic acid (CID 143919968) is ethane;(2R)-2-(2-methylphenoxy)butanoic acid.
What is the SMILES notation for ethane;(2R)-2-(2-methylphenoxy)butanoic acid?
The canonical SMILES for ethane;(2R)-2-(2-methylphenoxy)butanoic acid is CC.CC[C@@H](Oc1ccccc1C)C(=O)O.
What is the InChIKey of ethane;(2R)-2-(2-methylphenoxy)butanoic acid?
The InChIKey is ANQDMHZAKWESMZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H14O3.C2H6/c1-3-9(11(12)13)14-10-7-5-4-6-8(10)2;1-2/h4-7,9H,3H2,1-2H3,(H,12,13);1-2H3/t9-;/m1./s1.
What are the key properties of ethane;(2R)-2-(2-methylphenoxy)butanoic acid?
ethane;(2R)-2-(2-methylphenoxy)butanoic acid has a molecular weight of 224.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2-(2-methylphenoxy)butanoic acid is sourced from PubChem (CID 143919968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).