2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid

C11H10Cl2O2 — CID 165446124

IUPAC2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CC2(Cl)Cl)cc1
InChIInChI=1S/C11H10Cl2O2/c1-7-2-4-8(5-3-7)10(9(14)15)6-11(10,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyULWMBWPDNAWJEY-UHFFFAOYSA-N
MW245.10 g/mol
LogP2.90
Rot. Bonds2

About 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid

2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 165446124) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID165446124
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CC2(Cl)Cl)cc1
InChIInChI=1S/C11H10Cl2O2/c1-7-2-4-8(5-3-7)10(9(14)15)6-11(10,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyULWMBWPDNAWJEY-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid (CID 165446124) is 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CC2(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ULWMBWPDNAWJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-7-2-4-8(5-3-7)10(9(14)15)6-11(10,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid?
2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 245.10 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(4-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165446124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).