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

C15H20O2 — CID 83928092

IUPAC2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CC(C)C2CC2C(=O)O)c(C)c1
InChIInChI=1S/C15H20O2/c1-9-4-5-12(10(2)6-9)7-11(3)13-8-14(13)15(16)17/h4-6,11,13-14H,7-8H2,1-3H3,(H,16,17)
InChIKeyBPRNDGVDFTXZLO-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.20
Rot. Bonds4

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

2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83928092) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83928092
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CC(C)C2CC2C(=O)O)c(C)c1
InChIInChI=1S/C15H20O2/c1-9-4-5-12(10(2)6-9)7-11(3)13-8-14(13)15(16)17/h4-6,11,13-14H,7-8H2,1-3H3,(H,16,17)
InChIKeyBPRNDGVDFTXZLO-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83937325
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83923837
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
cis-(1S,2R)-2-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091785
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83943685
2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
3-(2,4-dimethylphenyl)-2-fluoropropanoic acid
CID 81357864
1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122726
1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one
CID 143639274

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83928092) is 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is Cc1ccc(CC(C)C2CC2C(=O)O)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is BPRNDGVDFTXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-4-5-12(10(2)6-9)7-11(3)13-8-14(13)15(16)17/h4-6,11,13-14H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83928092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).