4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid

C15H20O5 — CID 117449997

IUPAC4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
SMILESCOc1ccc(CCCC(=O)O)cc1OC1CCOC1
InChIInChI=1S/C15H20O5/c1-18-13-6-5-11(3-2-4-15(16)17)9-14(13)20-12-7-8-19-10-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyFUUDTZGRRWJPMA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.27
Rot. Bonds7

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

4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid (PubChem CID 117449997) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
PubChem CID117449997
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
SMILESCOc1ccc(CCCC(=O)O)cc1OC1CCOC1
InChIInChI=1S/C15H20O5/c1-18-13-6-5-11(3-2-4-15(16)17)9-14(13)20-12-7-8-19-10-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyFUUDTZGRRWJPMA-UHFFFAOYSA-N
XLogP2.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]butanoic acid
CID 117429756
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420008

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid?
The IUPAC name of 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid (CID 117449997) is 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid?
The canonical SMILES for 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid is COc1ccc(CCCC(=O)O)cc1OC1CCOC1.
What is the InChIKey of 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid?
The InChIKey is FUUDTZGRRWJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-13-6-5-11(3-2-4-15(16)17)9-14(13)20-12-7-8-19-10-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,16,17).
What are the key properties of 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid?
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid is sourced from PubChem (CID 117449997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).