2-(2-propoxyphenoxy)hexanoic acid

C15H22O4 — CID 113373450

IUPAC2-(2-propoxyphenoxy)hexanoic acid
SMILESCCCCC(Oc1ccccc1OCCC)C(=O)O
InChIInChI=1S/C15H22O4/c1-3-5-8-14(15(16)17)19-13-10-7-6-9-12(13)18-11-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,16,17)
InChIKeyBVPBRCCEGKCVHL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.50
Rot. Bonds9

About 2-(2-propoxyphenoxy)hexanoic acid

2-(2-propoxyphenoxy)hexanoic acid (PubChem CID 113373450) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-propoxyphenoxy)hexanoic acid.

Molecular Properties

Compound Name2-(2-propoxyphenoxy)hexanoic acid
PubChem CID113373450
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-(2-propoxyphenoxy)hexanoic acid
SMILESCCCCC(Oc1ccccc1OCCC)C(=O)O
InChIInChI=1S/C15H22O4/c1-3-5-8-14(15(16)17)19-13-10-7-6-9-12(13)18-11-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,16,17)
InChIKeyBVPBRCCEGKCVHL-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
2-(2-propoxyphenoxy)hexadecanoic acid
CID 175401560
2-(2-methoxyphenoxy)decanoic acid
CID 21317194
(2R)-2-phenoxyhexanoic acid
CID 71401043
(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
CID 124564878
(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid
CID 126455555
2-(2-cyanophenoxy)tetradecanoic acid
CID 14453176
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-(2-chloro-4-phenylphenoxy)hexanoic acid
CID 54793131
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
2-(3,4-dihydroxy-9,10-dioxoanthracen-1-yl)oxyhexanoic acid
CID 53241461

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenoxy)hexanoic acid?
The IUPAC name of 2-(2-propoxyphenoxy)hexanoic acid (CID 113373450) is 2-(2-propoxyphenoxy)hexanoic acid.
What is the SMILES notation for 2-(2-propoxyphenoxy)hexanoic acid?
The canonical SMILES for 2-(2-propoxyphenoxy)hexanoic acid is CCCCC(Oc1ccccc1OCCC)C(=O)O.
What is the InChIKey of 2-(2-propoxyphenoxy)hexanoic acid?
The InChIKey is BVPBRCCEGKCVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-8-14(15(16)17)19-13-10-7-6-9-12(13)18-11-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-propoxyphenoxy)hexanoic acid?
2-(2-propoxyphenoxy)hexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenoxy)hexanoic acid is sourced from PubChem (CID 113373450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).