2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid

C13H14Cl2O2 — CID 83925000

IUPAC2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCC(Cc1c(Cl)cccc1Cl)C1CC1C(=O)O
InChIInChI=1S/C13H14Cl2O2/c1-7(8-6-9(8)13(16)17)5-10-11(14)3-2-4-12(10)15/h2-4,7-9H,5-6H2,1H3,(H,16,17)
InChIKeyAXKILFMYKUVVNY-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.89
Rot. Bonds4

About 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83925000) has the molecular formula C13H14Cl2O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83925000
Molecular FormulaC13H14Cl2O2
Molecular Weight273.16 g/mol
Exact Mass272.04
IUPAC Name2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCC(Cc1c(Cl)cccc1Cl)C1CC1C(=O)O
InChIInChI=1S/C13H14Cl2O2/c1-7(8-6-9(8)13(16)17)5-10-11(14)3-2-4-12(10)15/h2-4,7-9H,5-6H2,1H3,(H,16,17)
InChIKeyAXKILFMYKUVVNY-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83923837
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911
2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928582
2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83943685
2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928092
4-(2,6-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81009397
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 65420161
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83925000) is 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid is CC(Cc1c(Cl)cccc1Cl)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is AXKILFMYKUVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O2/c1-7(8-6-9(8)13(16)17)5-10-11(14)3-2-4-12(10)15/h2-4,7-9H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 273.16 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83925000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).