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

C15H20O4 — CID 117415300

IUPAC4-[4-(oxan-3-yloxy)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OC2CCCOC2)cc1
InChIInChI=1S/C15H20O4/c16-15(17)5-1-3-12-6-8-13(9-7-12)19-14-4-2-10-18-11-14/h6-9,14H,1-5,10-11H2,(H,16,17)
InChIKeyGXRWYZNAQIZFEL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.65
Rot. Bonds6

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

4-[4-(oxan-3-yloxy)phenyl]butanoic acid (PubChem CID 117415300) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[4-(oxan-3-yloxy)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(oxan-3-yloxy)phenyl]butanoic acid
PubChem CID117415300
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-[4-(oxan-3-yloxy)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OC2CCCOC2)cc1
InChIInChI=1S/C15H20O4/c16-15(17)5-1-3-12-6-8-13(9-7-12)19-14-4-2-10-18-11-14/h6-9,14H,1-5,10-11H2,(H,16,17)
InChIKeyGXRWYZNAQIZFEL-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-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
4-[4-(thian-3-yloxy)phenyl]butanoic acid
CID 117450374
4-[4-(thian-4-yloxy)phenyl]butanoic acid
CID 117450375
5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
CID 70920975
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117371340
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
(E)-3-[4-(oxan-3-yloxy)phenyl]prop-2-enoic acid
CID 107135192
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]butanoic acid
CID 117429756

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxan-3-yloxy)phenyl]butanoic acid?
The IUPAC name of 4-[4-(oxan-3-yloxy)phenyl]butanoic acid (CID 117415300) is 4-[4-(oxan-3-yloxy)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(oxan-3-yloxy)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(oxan-3-yloxy)phenyl]butanoic acid is O=C(O)CCCc1ccc(OC2CCCOC2)cc1.
What is the InChIKey of 4-[4-(oxan-3-yloxy)phenyl]butanoic acid?
The InChIKey is GXRWYZNAQIZFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c16-15(17)5-1-3-12-6-8-13(9-7-12)19-14-4-2-10-18-11-14/h6-9,14H,1-5,10-11H2,(H,16,17).
What are the key properties of 4-[4-(oxan-3-yloxy)phenyl]butanoic acid?
4-[4-(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-[4-(oxan-3-yloxy)phenyl]butanoic acid is sourced from PubChem (CID 117415300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).