2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid

C13H16O2 — CID 82024066

IUPAC2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
SMILESCc1ccc(C)c(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C13H16O2/c1-8-3-4-9(2)11(7-8)12(13(14)15)10-5-6-10/h3-4,7,10,12H,5-6H2,1-2H3,(H,14,15)
InChIKeyDNTPXBLHVVNHPT-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.88
Rot. Bonds3

About 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid

2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid (PubChem CID 82024066) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
PubChem CID82024066
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
SMILESCc1ccc(C)c(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C13H16O2/c1-8-3-4-9(2)11(7-8)12(13(14)15)10-5-6-10/h3-4,7,10,12H,5-6H2,1-2H3,(H,14,15)
InChIKeyDNTPXBLHVVNHPT-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
2-(2,5-dimethylphenyl)-3-oxopropanoic acid
CID 22600118
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
CID 82480271
2-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 82138947
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254
4-amino-4-(2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938367
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62224597
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid (CID 82024066) is 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid is Cc1ccc(C)c(C(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid?
The InChIKey is DNTPXBLHVVNHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-3-4-9(2)11(7-8)12(13(14)15)10-5-6-10/h3-4,7,10,12H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid?
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 82024066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).