3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid

C14H20O3 — CID 117345111

IUPAC3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCCc1cccc(CC(C)(C)C(=O)O)c1OC
InChIInChI=1S/C14H20O3/c1-5-10-7-6-8-11(12(10)17-4)9-14(2,3)13(15)16/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyAENMORHPIFFAAG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.91
Rot. Bonds5

About 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid

3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117345111) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID117345111
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCCc1cccc(CC(C)(C)C(=O)O)c1OC
InChIInChI=1S/C14H20O3/c1-5-10-7-6-8-11(12(10)17-4)9-14(2,3)13(15)16/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyAENMORHPIFFAAG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-3-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117461941
3-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117433409
3-(4-chloro-3-hydroxy-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117400353
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117348985
3-(1-benzofuran-4-yl)-2,2-dimethylpropanoic acid
CID 117310807
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107937
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117417062
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
3-(4-bromo-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117487920
3-(2-chloro-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117395239
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
3-(2-chloro-3-methylphenyl)-2,2-dimethylpropanoic acid
CID 117326132

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid (CID 117345111) is 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid is CCc1cccc(CC(C)(C)C(=O)O)c1OC.
What is the InChIKey of 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is AENMORHPIFFAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-10-7-6-8-11(12(10)17-4)9-14(2,3)13(15)16/h6-8H,5,9H2,1-4H3,(H,15,16).
What are the key properties of 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid?
3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117345111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).