2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid

C12H12Cl2O2 — CID 83928405

IUPAC2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2O2/c13-9-4-3-7(11(14)6-9)1-2-8-5-10(8)12(15)16/h3-4,6,8,10H,1-2,5H2,(H,15,16)
InChIKeyDLHTVWYNPLLWIS-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.65
Rot. Bonds4

About 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid

2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 83928405) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID83928405
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2O2/c13-9-4-3-7(11(14)6-9)1-2-8-5-10(8)12(15)16/h3-4,6,8,10H,1-2,5H2,(H,15,16)
InChIKeyDLHTVWYNPLLWIS-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83930573
2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83931121
(3S,4S)-1-[3-(2,4-dichlorophenyl)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950483
(4S,6S)-6-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxyoxan-2-one
CID 67708270
cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2376302
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266
2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120551639
2-[2-(2,4-dichlorophenyl)ethylsulfanyl]acetic acid
CID 28813945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid (CID 83928405) is 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is DLHTVWYNPLLWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c13-9-4-3-7(11(14)6-9)1-2-8-5-10(8)12(15)16/h3-4,6,8,10H,1-2,5H2,(H,15,16).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid?
2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.13 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83928405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).