3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H14Cl2O2 — CID 12892961

IUPAC3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(/C=C(\Cl)c2ccc(Cl)cc2)C1C(=O)O
InChIInChI=1S/C14H14Cl2O2/c1-14(2)10(12(14)13(17)18)7-11(16)8-3-5-9(15)6-4-8/h3-7,10,12H,1-2H3,(H,17,18)/b11-7-
InChIKeyOLKWYZYVQYPFIM-XFFZJAGNSA-N
MW285.17 g/mol
LogP4.28
Rot. Bonds3

About 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 12892961) has the molecular formula C14H14Cl2O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID12892961
Molecular FormulaC14H14Cl2O2
Molecular Weight285.17 g/mol
Exact Mass284.04
IUPAC Name3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(/C=C(\Cl)c2ccc(Cl)cc2)C1C(=O)O
InChIInChI=1S/C14H14Cl2O2/c1-14(2)10(12(14)13(17)18)7-11(16)8-3-5-9(15)6-4-8/h3-7,10,12H,1-2H3,(H,17,18)/b11-7-
InChIKeyOLKWYZYVQYPFIM-XFFZJAGNSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
CID 16197
beta-(p-Chlorophenyl)propionic acid
CID 123137
1-(p-Chlorophenyl)cyclopropanecarboxylic acid
CID 98606
4-(4-Chlorophenyl)butanoic acid
CID 259740
DL-2-(4-chlorophenyl)propanoic acid
CID 102525
2-(4-Chlorophenyl)butanoic acid
CID 34658
rac-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
2-(4-Chlorophenyl)-2-methylpropionic acid
CID 80406
cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxylic acid
CID 127031030
(1s,2s)-1-(4-Chlorobenzyl)-2-phenylcyclopropanecarboxylic acid
CID 127031563
3,3-Bis(p-chlorophenyl)propionic acid
CID 75681
3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-
CID 6007134

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 12892961) is 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(/C=C(\Cl)c2ccc(Cl)cc2)C1C(=O)O.
What is the InChIKey of 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is OLKWYZYVQYPFIM-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H14Cl2O2/c1-14(2)10(12(14)13(17)18)7-11(16)8-3-5-9(15)6-4-8/h3-7,10,12H,1-2H3,(H,17,18)/b11-7-.
What are the key properties of 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 285.17 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12892961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).