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

C15H18Cl2O2 — CID 10891958

IUPACmethyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H18Cl2O2/c1-19-15(18)14(10-5-3-2-4-6-10)11-7-8-12(16)13(17)9-11/h7-10,14H,2-6H2,1H3
InChIKeyQILYLJIMDLIORW-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.83
Rot. Bonds3

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

methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate (PubChem CID 10891958) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate
PubChem CID10891958
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Namemethyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H18Cl2O2/c1-19-15(18)14(10-5-3-2-4-6-10)11-7-8-12(16)13(17)9-11/h7-10,14H,2-6H2,1H3
InChIKeyQILYLJIMDLIORW-UHFFFAOYSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate?
The IUPAC name of methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate (CID 10891958) is methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate is COC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate?
The InChIKey is QILYLJIMDLIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c1-19-15(18)14(10-5-3-2-4-6-10)11-7-8-12(16)13(17)9-11/h7-10,14H,2-6H2,1H3.
What are the key properties of methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate?
methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate has a molecular weight of 301.21 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 10891958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).