2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid

C13H16O2 — CID 84777910

IUPAC2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cccc(C2(CC(=O)O)CC2)c1C
InChIInChI=1S/C13H16O2/c1-9-4-3-5-11(10(9)2)13(6-7-13)8-12(14)15/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyBJUFYIKLVMWMBE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.81
Rot. Bonds3

About 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid

2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid (PubChem CID 84777910) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
PubChem CID84777910
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cccc(C2(CC(=O)O)CC2)c1C
InChIInChI=1S/C13H16O2/c1-9-4-3-5-11(10(9)2)13(6-7-13)8-12(14)15/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyBJUFYIKLVMWMBE-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
3-[1-(carboxymethyl)cyclopropyl]-4,5-dimethylbenzoic acid
CID 117373292
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117107629
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84790886
2-[1-(2,3-dimethyl-5-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117453870
2-[1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117379802
2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
CID 117373794
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid (CID 84777910) is 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid is Cc1cccc(C2(CC(=O)O)CC2)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid?
The InChIKey is BJUFYIKLVMWMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-4-3-5-11(10(9)2)13(6-7-13)8-12(14)15/h3-5H,6-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid?
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84777910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).