(2R)-2-phenoxyhexanoic acid

C12H16O3 — CID 71401043

IUPAC(2R)-2-phenoxyhexanoic acid
SMILESCCCC[C@@H](Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-2-3-9-11(12(13)14)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyFZEQPRGPLDVEOE-LLVKDONJSA-N
MW208.26 g/mol
LogP2.71
Rot. Bonds6

About (2R)-2-phenoxyhexanoic acid

(2R)-2-phenoxyhexanoic acid (PubChem CID 71401043) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-phenoxyhexanoic acid.

Molecular Properties

Compound Name(2R)-2-phenoxyhexanoic acid
PubChem CID71401043
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-2-phenoxyhexanoic acid
SMILESCCCC[C@@H](Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-2-3-9-11(12(13)14)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyFZEQPRGPLDVEOE-LLVKDONJSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856
potassium 2-phenoxyundecanoate
CID 70350230
sodium 2-phenoxyoctadecanoate
CID 141463853
2-phenoxy-N-phenylhexanamide
CID 70624716
2-phenoxyhexadecanethioic S-acid
CID 142789333
ethyl 2-phenoxydecanoate
CID 101000092
4-(1-carboxydecoxy)benzoic acid
CID 23304106
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
sodium 2-phenoxypentanoate
CID 59946136
2-(2-propoxyphenoxy)hexanoic acid
CID 113373450
2-(4-hexanoylphenoxy)decanoic acid
CID 56969633
3-(3-methoxyphenyl)propanoic acid;2-phenoxyundecanoic acid
CID 70199280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxyhexanoic acid?
The IUPAC name of (2R)-2-phenoxyhexanoic acid (CID 71401043) is (2R)-2-phenoxyhexanoic acid.
What is the SMILES notation for (2R)-2-phenoxyhexanoic acid?
The canonical SMILES for (2R)-2-phenoxyhexanoic acid is CCCC[C@@H](Oc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-phenoxyhexanoic acid?
The InChIKey is FZEQPRGPLDVEOE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-3-9-11(12(13)14)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-phenoxyhexanoic acid?
(2R)-2-phenoxyhexanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxyhexanoic acid is sourced from PubChem (CID 71401043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).