methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate

C14H16Cl2O2 — CID 82250036

IUPACmethyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2O2/c1-18-14(17)11-6-3-2-5-9(11)10-7-4-8-12(15)13(10)16/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeySCEKZZBADAHCHM-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.44
Rot. Bonds2

About methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate

methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate (PubChem CID 82250036) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate
PubChem CID82250036
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Namemethyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2O2/c1-18-14(17)11-6-3-2-5-9(11)10-7-4-8-12(15)13(10)16/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeySCEKZZBADAHCHM-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393
ethane;methyl 2-[6-(2-methoxycarbonylcyclohexyl)pyren-1-yl]cyclohexane-1-carboxylate
CID 144531065
methyl (1S,6R)-6-(2,3-dichlorophenyl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 172990472
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
1-(2-bromocyclopentyl)-2,3-dichlorobenzene
CID 63512300
methyl 6-(2,3-dichlorophenyl)-4-methyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 123928010
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81026756

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate (CID 82250036) is methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate is COC(=O)C1CCCCC1c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate?
The InChIKey is SCEKZZBADAHCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-18-14(17)11-6-3-2-5-9(11)10-7-4-8-12(15)13(10)16/h4,7-9,11H,2-3,5-6H2,1H3.
What are the key properties of methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate?
methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate has a molecular weight of 287.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 82250036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).