cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate

C12H12Cl2O2 — CID 2376302

IUPACcis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESC[C@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2O2/c1-7-4-10(7)12(15)16-6-8-2-3-9(13)5-11(8)14/h2-3,5,7,10H,4,6H2,1H3/t7-,10+/m0/s1
InChIKeyHHVOGRFDSJSCMB-OIBJUYFYSA-N
MW259.13 g/mol
LogP3.69
Rot. Bonds3

About cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate

cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate (PubChem CID 2376302) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
PubChem CID2376302
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Namecis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESC[C@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2O2/c1-7-4-10(7)12(15)16-6-8-2-3-9(13)5-11(8)14/h2-3,5,7,10H,4,6H2,1H3/t7-,10+/m0/s1
InChIKeyHHVOGRFDSJSCMB-OIBJUYFYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
CID 2374200
(2,4-dichlorophenyl)methyl adamantane-1-carboxylate
CID 4285258
trans-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019931
cis-(2-chloro-7-methylsulfanylquinolin-3-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7433162
trans-(2-chloro-7-methylsulfanylquinolin-3-yl)methyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7433160
(2,4-dichlorophenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 3923822
(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
CID 2375336
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120551639
(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
CID 69143909
(2,4-dichlorophenyl)methyl 4-iodobenzoate
CID 2387646
2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928405

Frequently Asked Questions

What is the IUPAC name of cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate (CID 2376302) is cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate is C[C@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate?
The InChIKey is HHVOGRFDSJSCMB-OIBJUYFYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c1-7-4-10(7)12(15)16-6-8-2-3-9(13)5-11(8)14/h2-3,5,7,10H,4,6H2,1H3/t7-,10+/m0/s1.
What are the key properties of cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate?
cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate has a molecular weight of 259.13 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 2376302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).