4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid

C14H20O4 — CID 117383909

IUPAC4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
SMILESCOc1c(C)cc(CCCC(=O)O)c(C)c1OC
InChIInChI=1S/C14H20O4/c1-9-8-11(6-5-7-12(15)16)10(2)14(18-4)13(9)17-3/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyRCHBZOCSNGVZTG-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.73
Rot. Bonds6

About 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid

4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid (PubChem CID 117383909) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
PubChem CID117383909
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
SMILESCOc1c(C)cc(CCCC(=O)O)c(C)c1OC
InChIInChI=1S/C14H20O4/c1-9-8-11(6-5-7-12(15)16)10(2)14(18-4)13(9)17-3/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyRCHBZOCSNGVZTG-UHFFFAOYSA-N
XLogP2.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84814001
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
4-[3-methoxy-2,5-dimethyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid
CID 91552613
4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
CID 83892522
4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
CID 117424486
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117488028
4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid
CID 117389136
4-(4-formyl-2,3-dimethoxyphenyl)butanoic acid
CID 117383557
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
2-amino-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117385942
3-(3-carboxypropyl)-4,5-dimethoxybenzoic acid
CID 117424082

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid?
The IUPAC name of 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid (CID 117383909) is 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid.
What is the SMILES notation for 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid?
The canonical SMILES for 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid is COc1c(C)cc(CCCC(=O)O)c(C)c1OC.
What is the InChIKey of 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid?
The InChIKey is RCHBZOCSNGVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-8-11(6-5-7-12(15)16)10(2)14(18-4)13(9)17-3/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid?
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid is sourced from PubChem (CID 117383909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).