2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid

C15H18O4 — CID 116918593

IUPAC2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C)c(C)cc(C)c1C(=O)C1CC1C(=O)O
InChIInChI=1S/C15H18O4/c1-7-5-8(2)12(14(19-4)9(7)3)13(16)10-6-11(10)15(17)18/h5,10-11H,6H2,1-4H3,(H,17,18)
InChIKeyUZMWMTLDTOLWJQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid

2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 116918593) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid
PubChem CID116918593
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid
SMILESCOc1c(C)c(C)cc(C)c1C(=O)C1CC1C(=O)O
InChIInChI=1S/C15H18O4/c1-7-5-8(2)12(14(19-4)9(7)3)13(16)10-6-11(10)15(17)18/h5,10-11H,6H2,1-4H3,(H,17,18)
InChIKeyUZMWMTLDTOLWJQ-UHFFFAOYSA-N
XLogP2.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
(E)-4-(2-methoxy-3,4,6-trimethylphenyl)-4-oxobut-2-enoic acid
CID 116919495
(2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43159748
2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106877091
(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone
CID 116924371
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
2-(2,4-dimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918498
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83940555

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid (CID 116918593) is 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid is COc1c(C)c(C)cc(C)c1C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is UZMWMTLDTOLWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-7-5-8(2)12(14(19-4)9(7)3)13(16)10-6-11(10)15(17)18/h5,10-11H,6H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid?
2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116918593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).