methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate

C14H16Cl2O2 — CID 11778793

IUPACmethyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16Cl2O2/c1-18-14(17)13(9-4-2-3-5-9)10-6-7-11(15)12(16)8-10/h6-9,13H,2-5H2,1H3
InChIKeyNEHPFNBRZYFWFN-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.44
Rot. Bonds3

About methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate

methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate (PubChem CID 11778793) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate
PubChem CID11778793
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Namemethyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16Cl2O2/c1-18-14(17)13(9-4-2-3-5-9)10-6-7-11(15)12(16)8-10/h6-9,13H,2-5H2,1H3
InChIKeyNEHPFNBRZYFWFN-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate?
The IUPAC name of methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate (CID 11778793) is methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate is COC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate?
The InChIKey is NEHPFNBRZYFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-18-14(17)13(9-4-2-3-5-9)10-6-7-11(15)12(16)8-10/h6-9,13H,2-5H2,1H3.
What are the key properties of methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate?
methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate has a molecular weight of 287.19 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 11778793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).