2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid

C14H18O4 — CID 117379119

IUPAC2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C)c(OC)c1C1(CC(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-9-4-5-10(17-2)12(13(9)18-3)14(6-7-14)8-11(15)16/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyHRCGRHIEYPSCJK-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid

2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid (PubChem CID 117379119) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
PubChem CID117379119
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C)c(OC)c1C1(CC(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-9-4-5-10(17-2)12(13(9)18-3)14(6-7-14)8-11(15)16/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyHRCGRHIEYPSCJK-UHFFFAOYSA-N
XLogP2.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449947
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446172
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951
2-[1-(2-methoxy-6-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117457810
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117428689
2-[1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117453838
2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117378973
2-[1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)cyclopropyl]acetic acid
CID 117107700
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid (CID 117379119) is 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid is COc1ccc(C)c(OC)c1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is HRCGRHIEYPSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9-4-5-10(17-2)12(13(9)18-3)14(6-7-14)8-11(15)16/h4-5H,6-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid?
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117379119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).