methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate

C15H18Cl2O3 — CID 107305584

IUPACmethyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2O3/c1-19-15(18)10-5-7-12(8-6-10)20-9-11-3-2-4-13(16)14(11)17/h2-4,10,12H,5-9H2,1H3
InChIKeyHVZVQUXUOPVOES-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.24
Rot. Bonds4

About methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate

methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate (PubChem CID 107305584) has the molecular formula C15H18Cl2O3 and a molecular weight of 317.21 g/mol. Its IUPAC name is methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
PubChem CID107305584
Molecular FormulaC15H18Cl2O3
Molecular Weight317.21 g/mol
Exact Mass316.06
IUPAC Namemethyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2O3/c1-19-15(18)10-5-7-12(8-6-10)20-9-11-3-2-4-13(16)14(11)17/h2-4,10,12H,5-9H2,1H3
InChIKeyHVZVQUXUOPVOES-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine
CID 107306212
methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
CID 114450493
3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine
CID 107307010
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
CID 107311349
methyl 4-(2-hydroxy-2-phenylethoxy)cyclohexane-1-carboxylate
CID 114450819
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
methyl N-[(2,3-dichlorophenyl)methyl]carbamate
CID 11673101
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate (CID 107305584) is methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(OCc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate?
The InChIKey is HVZVQUXUOPVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O3/c1-19-15(18)10-5-7-12(8-6-10)20-9-11-3-2-4-13(16)14(11)17/h2-4,10,12H,5-9H2,1H3.
What are the key properties of methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate?
methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate has a molecular weight of 317.21 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 107305584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).