3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C12H12Cl2O2 — CID 82368625

IUPAC3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2O2/c1-12(2)8(9(12)11(15)16)6-4-3-5-7(13)10(6)14/h3-5,8-9H,1-2H3,(H,15,16)
InChIKeyDLPHXNQKFDDYDV-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.82
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 82368625) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID82368625
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2O2/c1-12(2)8(9(12)11(15)16)6-4-3-5-7(13)10(6)14/h3-5,8-9H,1-2H3,(H,15,16)
InChIKeyDLPHXNQKFDDYDV-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 82368625) is 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is DLPHXNQKFDDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c1-12(2)8(9(12)11(15)16)6-4-3-5-7(13)10(6)14/h3-5,8-9H,1-2H3,(H,15,16).
What are the key properties of 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 259.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82368625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).