3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid

C14H20O3 — CID 83958958

IUPAC3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid
SMILESCCOc1cc(C)c(C(C)CC(=O)O)c(C)c1
InChIInChI=1S/C14H20O3/c1-5-17-12-6-9(2)14(10(3)7-12)11(4)8-13(15)16/h6-7,11H,5,8H2,1-4H3,(H,15,16)
InChIKeyMAVXDDHYOFPCGC-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.28
Rot. Bonds5

About 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid

3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid (PubChem CID 83958958) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid
PubChem CID83958958
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid
SMILESCCOc1cc(C)c(C(C)CC(=O)O)c(C)c1
InChIInChI=1S/C14H20O3/c1-5-17-12-6-9(2)14(10(3)7-12)11(4)8-13(15)16/h6-7,11H,5,8H2,1-4H3,(H,15,16)
InChIKeyMAVXDDHYOFPCGC-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxy-2,6-dimethylphenyl)butanethioamide
CID 83940223
3-(4-ethoxy-3-methylphenyl)butanoic acid
CID 82286931
3-(2,4,6-trimethoxyphenyl)butanoic acid
CID 112513775
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510
4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83940218
3-(2-fluoro-4,6-dimethylphenyl)butanoic acid
CID 84781229
3-(2,4,5-trimethylphenyl)butanoic acid
CID 4206732
(4-butan-2-yl-3,5-dimethylphenyl) acetate
CID 158728022
3-(2,6-dimethyl-4-propoxyphenyl)butanethioamide
CID 83940351
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butanoic acid
CID 83958660

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid?
The IUPAC name of 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid (CID 83958958) is 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid.
What is the SMILES notation for 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid?
The canonical SMILES for 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid is CCOc1cc(C)c(C(C)CC(=O)O)c(C)c1.
What is the InChIKey of 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid?
The InChIKey is MAVXDDHYOFPCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-17-12-6-9(2)14(10(3)7-12)11(4)8-13(15)16/h6-7,11H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid?
3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid is sourced from PubChem (CID 83958958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).