2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

C15H20O4 — CID 83928902

IUPAC2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CC(C)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C15H20O4/c1-9(11-8-12(11)15(16)17)6-10-4-5-13(18-2)14(7-10)19-3/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,16,17)
InChIKeyAVJZUYFJDLLAEF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds6

About 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83928902) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83928902
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CC(C)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C15H20O4/c1-9(11-8-12(11)15(16)17)6-10-4-5-13(18-2)14(7-10)19-3/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,16,17)
InChIKeyAVJZUYFJDLLAEF-UHFFFAOYSA-N
XLogP2.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic 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-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928582
2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83943685
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911
2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
2-[1-(4-hexoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83932772
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83928902) is 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is COc1ccc(CC(C)C2CC2C(=O)O)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is AVJZUYFJDLLAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(11-8-12(11)15(16)17)6-10-4-5-13(18-2)14(7-10)19-3/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83928902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).