2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid

C12H11Cl3O2 — CID 138653395

IUPAC2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCc1c(Cl)cc(C2C(C(=O)O)C2(C)Cl)cc1Cl
InChIInChI=1S/C12H11Cl3O2/c1-5-7(13)3-6(4-8(5)14)9-10(11(16)17)12(9,2)15/h3-4,9-10H,1-2H3,(H,16,17)
InChIKeyOUYLKCXBTFCOKE-UHFFFAOYSA-N
MW293.58 g/mol
LogP4.10
Rot. Bonds2

About 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid

2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 138653395) has the molecular formula C12H11Cl3O2 and a molecular weight of 293.58 g/mol. Its IUPAC name is 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID138653395
Molecular FormulaC12H11Cl3O2
Molecular Weight293.58 g/mol
Exact Mass291.98
IUPAC Name2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCc1c(Cl)cc(C2C(C(=O)O)C2(C)Cl)cc1Cl
InChIInChI=1S/C12H11Cl3O2/c1-5-7(13)3-6(4-8(5)14)9-10(11(16)17)12(9,2)15/h3-4,9-10H,1-2H3,(H,16,17)
InChIKeyOUYLKCXBTFCOKE-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid (CID 138653395) is 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid is Cc1c(Cl)cc(C2C(C(=O)O)C2(C)Cl)cc1Cl.
What is the InChIKey of 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is OUYLKCXBTFCOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3O2/c1-5-7(13)3-6(4-8(5)14)9-10(11(16)17)12(9,2)15/h3-4,9-10H,1-2H3,(H,16,17).
What are the key properties of 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid?
2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 293.58 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 138653395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).