4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid

C14H20O4 — CID 117383892

IUPAC4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid
SMILESCOCC(OC)c1ccccc1CCCC(=O)O
InChIInChI=1S/C14H20O4/c1-17-10-13(18-2)12-8-4-3-6-11(12)7-5-9-14(15)16/h3-4,6,8,13H,5,7,9-10H2,1-2H3,(H,15,16)
InChIKeyCWLNYFVJWSAPCC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.43
Rot. Bonds8

About 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid

4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid (PubChem CID 117383892) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid
PubChem CID117383892
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid
SMILESCOCC(OC)c1ccccc1CCCC(=O)O
InChIInChI=1S/C14H20O4/c1-17-10-13(18-2)12-8-4-3-6-11(12)7-5-9-14(15)16/h3-4,6,8,13H,5,7,9-10H2,1-2H3,(H,15,16)
InChIKeyCWLNYFVJWSAPCC-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
3-[2-(1,2-dimethoxyethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117420017
2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid
CID 117353042
3-amino-3-[2-(1,2-dimethoxyethyl)phenyl]propanoic acid
CID 117385801
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
3-(1,2-dimethoxyethyl)phthalic acid
CID 56995975
2-[2-(4-carboxybutyl)phenyl]pentanoic acid
CID 139936646
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid?
The IUPAC name of 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid (CID 117383892) is 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid is COCC(OC)c1ccccc1CCCC(=O)O.
What is the InChIKey of 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid?
The InChIKey is CWLNYFVJWSAPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-17-10-13(18-2)12-8-4-3-6-11(12)7-5-9-14(15)16/h3-4,6,8,13H,5,7,9-10H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid?
4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid is sourced from PubChem (CID 117383892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).