2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid

C15H18O4 — CID 116918505

IUPAC2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(=O)C2CC2C(=O)O)cc1C(C)C
InChIInChI=1S/C15H18O4/c1-8(2)10-6-9(4-5-13(10)19-3)14(16)11-7-12(11)15(17)18/h4-6,8,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyGJZLJKPWPNISLK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid

2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 116918505) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid
PubChem CID116918505
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(=O)C2CC2C(=O)O)cc1C(C)C
InChIInChI=1S/C15H18O4/c1-8(2)10-6-9(4-5-13(10)19-3)14(16)11-7-12(11)15(17)18/h4-6,8,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyGJZLJKPWPNISLK-UHFFFAOYSA-N
XLogP2.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-3-methylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918521
2-[3-chloro-4-(trifluoromethoxy)benzoyl]cyclopropane-1-carboxylic acid
CID 123398420
2-(3-bromo-4-methoxybenzoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512519
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
2-amino-3-(4-methoxy-3-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920480
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid (CID 116918505) is 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid is COc1ccc(C(=O)C2CC2C(=O)O)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is GJZLJKPWPNISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-8(2)10-6-9(4-5-13(10)19-3)14(16)11-7-12(11)15(17)18/h4-6,8,11-12H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid?
2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116918505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).