2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid

C13H15ClO2 — CID 84799380

IUPAC2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C)c(Cl)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C13H15ClO2/c1-8-5-9(2)12(14)10(6-8)13(3-4-13)7-11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyVLJRSBLFFVYDAK-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.46
Rot. Bonds3

About 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid

2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid (PubChem CID 84799380) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
PubChem CID84799380
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C)c(Cl)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C13H15ClO2/c1-8-5-9(2)12(14)10(6-8)13(3-4-13)7-11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyVLJRSBLFFVYDAK-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
CID 84800621
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389898
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
3-[1-(carboxymethyl)cyclopropyl]-4,5-dimethylbenzoic acid
CID 117373292
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
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-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
CID 117458288

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid (CID 84799380) is 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid is Cc1cc(C)c(Cl)c(C2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid?
The InChIKey is VLJRSBLFFVYDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8-5-9(2)12(14)10(6-8)13(3-4-13)7-11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid?
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid has a molecular weight of 238.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84799380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).