2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid

C16H22O4 — CID 117446176

IUPAC2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(OC)c(C2(CC(=O)O)CC2)cc1C(C)C
InChIInChI=1S/C16H22O4/c1-10(2)11-7-12(14(20-4)8-13(11)19-3)16(5-6-16)9-15(17)18/h7-8,10H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyRXFURCLNBAZZOO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.33
Rot. Bonds6

About 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid

2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (PubChem CID 117446176) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
PubChem CID117446176
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(OC)c(C2(CC(=O)O)CC2)cc1C(C)C
InChIInChI=1S/C16H22O4/c1-10(2)11-7-12(14(20-4)8-13(11)19-3)16(5-6-16)9-15(17)18/h7-8,10H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyRXFURCLNBAZZOO-UHFFFAOYSA-N
XLogP3.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)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-[2,4-dimethoxy-5-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449948
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117469305
2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117373942
2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446172
2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid
CID 117401757
2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117394939
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (CID 117446176) is 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid is COc1cc(OC)c(C2(CC(=O)O)CC2)cc1C(C)C.
What is the InChIKey of 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is RXFURCLNBAZZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-10(2)11-7-12(14(20-4)8-13(11)19-3)16(5-6-16)9-15(17)18/h7-8,10H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117446176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).