(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid

C14H20O5 — CID 124564878

IUPAC(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
SMILESCCCC[C@@H](Oc1cccc(OC)c1OC)C(=O)O
InChIInChI=1S/C14H20O5/c1-4-5-7-12(14(15)16)19-11-9-6-8-10(17-2)13(11)18-3/h6,8-9,12H,4-5,7H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyHHRFXFAJXLCLGS-GFCCVEGCSA-N
MW268.31 g/mol
LogP2.73
Rot. Bonds8

About (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid

(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid (PubChem CID 124564878) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
PubChem CID124564878
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
SMILESCCCC[C@@H](Oc1cccc(OC)c1OC)C(=O)O
InChIInChI=1S/C14H20O5/c1-4-5-7-12(14(15)16)19-11-9-6-8-10(17-2)13(11)18-3/h6,8-9,12H,4-5,7H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyHHRFXFAJXLCLGS-GFCCVEGCSA-N
XLogP2.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)decanoic acid
CID 21317194
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
2-(2-propoxyphenoxy)hexanoic acid
CID 113373450
(2R)-2-phenoxyhexanoic acid
CID 71401043
(2,6-dimethoxyphenyl) (2R)-2-bromohexanoate
CID 129365299
2-(2-propoxyphenoxy)hexadecanoic acid
CID 175401560
2-(2-cyanophenoxy)tetradecanoic acid
CID 14453176
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-(2-chloro-4-phenylphenoxy)hexanoic acid
CID 54793131
2-(4-oxopyran-3-yl)oxyhexanoic acid
CID 90741690
2-[(2,3,4-trimethoxyphenyl)methyl]hexanoic acid
CID 154057350
2-(4-chloro-2-methylphenoxy)hexanoic acid
CID 23187169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid?
The IUPAC name of (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid (CID 124564878) is (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid.
What is the SMILES notation for (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid?
The canonical SMILES for (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid is CCCC[C@@H](Oc1cccc(OC)c1OC)C(=O)O.
What is the InChIKey of (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid?
The InChIKey is HHRFXFAJXLCLGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-5-7-12(14(15)16)19-11-9-6-8-10(17-2)13(11)18-3/h6,8-9,12H,4-5,7H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid?
(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid is sourced from PubChem (CID 124564878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).