2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid

C13H14O5 — CID 116918493

IUPAC2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC)c(C(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C13H14O5/c1-17-7-3-4-11(18-2)10(5-7)12(14)8-6-9(8)13(15)16/h3-5,8-9H,6H2,1-2H3,(H,15,16)
InChIKeyVKNJSUWVTYDXSC-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.61
Rot. Bonds5

About 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid

2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 116918493) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
PubChem CID116918493
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC)c(C(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C13H14O5/c1-17-7-3-4-11(18-2)10(5-7)12(14)8-6-9(8)13(15)16/h3-5,8-9H,6H2,1-2H3,(H,15,16)
InChIKeyVKNJSUWVTYDXSC-UHFFFAOYSA-N
XLogP1.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391912
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 105134844
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid (CID 116918493) is 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid is COc1ccc(OC)c(C(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is VKNJSUWVTYDXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-17-7-3-4-11(18-2)10(5-7)12(14)8-6-9(8)13(15)16/h3-5,8-9H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid?
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116918493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).