2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid

C13H16O4 — CID 81008806

IUPAC2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2CCC2C(=O)O)c(OC)c1
InChIInChI=1S/C13H16O4/c1-16-8-3-4-10(12(7-8)17-2)9-5-6-11(9)13(14)15/h3-4,7,9,11H,5-6H2,1-2H3,(H,14,15)
InChIKeyPQAYGWKBCQYJNJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.28
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid

2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 81008806) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID81008806
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2CCC2C(=O)O)c(OC)c1
InChIInChI=1S/C13H16O4/c1-16-8-3-4-10(12(7-8)17-2)9-5-6-11(9)13(14)15/h3-4,7,9,11H,5-6H2,1-2H3,(H,14,15)
InChIKeyPQAYGWKBCQYJNJ-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene
CID 64910330
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
2-(2,4-dimethoxyanilino)cyclobutane-1-carboxylic acid
CID 103231889
(3S,4R)-4-(2,4-dimethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 155905944
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 16762508
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid (CID 81008806) is 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid is COc1ccc(C2CCC2C(=O)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is PQAYGWKBCQYJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-8-3-4-10(12(7-8)17-2)9-5-6-11(9)13(14)15/h3-4,7,9,11H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid?
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81008806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).