4-[3-(oxan-3-yloxy)phenyl]butanoic acid

C15H20O4 — CID 117415298

IUPAC4-[3-(oxan-3-yloxy)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(OC2CCCOC2)c1
InChIInChI=1S/C15H20O4/c16-15(17)8-2-5-12-4-1-6-13(10-12)19-14-7-3-9-18-11-14/h1,4,6,10,14H,2-3,5,7-9,11H2,(H,16,17)
InChIKeyIHBZLXJCXRYEDT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.65
Rot. Bonds6

About 4-[3-(oxan-3-yloxy)phenyl]butanoic acid

4-[3-(oxan-3-yloxy)phenyl]butanoic acid (PubChem CID 117415298) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[3-(oxan-3-yloxy)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(oxan-3-yloxy)phenyl]butanoic acid
PubChem CID117415298
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-[3-(oxan-3-yloxy)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(OC2CCCOC2)c1
InChIInChI=1S/C15H20O4/c16-15(17)8-2-5-12-4-1-6-13(10-12)19-14-7-3-9-18-11-14/h1,4,6,10,14H,2-3,5,7-9,11H2,(H,16,17)
InChIKeyIHBZLXJCXRYEDT-UHFFFAOYSA-N
XLogP2.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415300
3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117318293
4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117376219
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
2-[1-[3-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117442548
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
(E)-3-[3-(oxan-3-yloxy)phenyl]prop-2-enoic acid
CID 107135195
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]butanoic acid
CID 117429756
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-3-yloxy)phenyl]butanoic acid?
The IUPAC name of 4-[3-(oxan-3-yloxy)phenyl]butanoic acid (CID 117415298) is 4-[3-(oxan-3-yloxy)phenyl]butanoic acid.
What is the SMILES notation for 4-[3-(oxan-3-yloxy)phenyl]butanoic acid?
The canonical SMILES for 4-[3-(oxan-3-yloxy)phenyl]butanoic acid is O=C(O)CCCc1cccc(OC2CCCOC2)c1.
What is the InChIKey of 4-[3-(oxan-3-yloxy)phenyl]butanoic acid?
The InChIKey is IHBZLXJCXRYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c16-15(17)8-2-5-12-4-1-6-13(10-12)19-14-7-3-9-18-11-14/h1,4,6,10,14H,2-3,5,7-9,11H2,(H,16,17).
What are the key properties of 4-[3-(oxan-3-yloxy)phenyl]butanoic acid?
4-[3-(oxan-3-yloxy)phenyl]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-3-yloxy)phenyl]butanoic acid is sourced from PubChem (CID 117415298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).