2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid

C11H10Cl2O2 — CID 130900676

IUPAC2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(c2c(Cl)cccc2Cl)CC1C(=O)O
InChIInChI=1S/C11H10Cl2O2/c1-11(5-6(11)10(14)15)9-7(12)3-2-4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyMNLMWWWTUOXXNJ-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.36
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid

2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 130900676) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID130900676
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(c2c(Cl)cccc2Cl)CC1C(=O)O
InChIInChI=1S/C11H10Cl2O2/c1-11(5-6(11)10(14)15)9-7(12)3-2-4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyMNLMWWWTUOXXNJ-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid (CID 130900676) is 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid is CC1(c2c(Cl)cccc2Cl)CC1C(=O)O.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is MNLMWWWTUOXXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-11(5-6(11)10(14)15)9-7(12)3-2-4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid?
2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 245.10 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 130900676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).