[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C20H26Cl2O5 — CID 7442783

IUPAC[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H26Cl2O5/c1-12(2)15-6-4-13(3)8-18(15)27-20(24)11-26-19(23)10-25-17-7-5-14(21)9-16(17)22/h5,7,9,12-13,15,18H,4,6,8,10-11H2,1-3H3/t13-,15+,18-/m1/s1
InChIKeyIXUKECKBYICCAE-QIIPPGSGSA-N
MW417.33 g/mol
LogP4.92
Rot. Bonds7

About [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 7442783) has the molecular formula C20H26Cl2O5 and a molecular weight of 417.33 g/mol. Its IUPAC name is [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID7442783
Molecular FormulaC20H26Cl2O5
Molecular Weight417.33 g/mol
Exact Mass416.12
IUPAC Name[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H26Cl2O5/c1-12(2)15-6-4-13(3)8-18(15)27-20(24)11-26-19(23)10-25-17-7-5-14(21)9-16(17)22/h5,7,9,12-13,15,18H,4,6,8,10-11H2,1-3H3/t13-,15+,18-/m1/s1
InChIKeyIXUKECKBYICCAE-QIIPPGSGSA-N
XLogP4.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 2-(2,4-dichlorophenoxy)acetate
CID 53297550
[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 51685606
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 25361503
[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 25387671
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-chlorophenyl)sulfanylacetate
CID 45155655
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 4003507
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-iodobenzoate
CID 51695389
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2,4-dimethylbenzoate
CID 2358274
[(1S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxyacetate
CID 175905801
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 3-iodobenzoate
CID 23851641
(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate
CID 18370052
5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43109138

Frequently Asked Questions

What is the IUPAC name of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 7442783) is [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is IXUKECKBYICCAE-QIIPPGSGSA-N. The full InChI is InChI=1S/C20H26Cl2O5/c1-12(2)15-6-4-13(3)8-18(15)27-20(24)11-26-19(23)10-25-17-7-5-14(21)9-16(17)22/h5,7,9,12-13,15,18H,4,6,8,10-11H2,1-3H3/t13-,15+,18-/m1/s1.
What are the key properties of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 417.33 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 7442783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).