methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate

C21H30Cl2O2 — CID 134591238

IUPACmethyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate
SMILESCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C1CCCCC[C@@H](C)CCC1
InChIInChI=1S/C21H30Cl2O2/c1-15-7-4-3-5-9-16(10-6-8-15)19(21(24)25-2)13-17-11-12-18(22)14-20(17)23/h11-12,14-16,19H,3-10,13H2,1-2H3/t15-,16?,19-/m1/s1
InChIKeyNNDFWPHHOYYCJH-XBOMOHCESA-N
MW385.38 g/mol
LogP6.71
Rot. Bonds4

About methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate

methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate (PubChem CID 134591238) has the molecular formula C21H30Cl2O2 and a molecular weight of 385.38 g/mol. Its IUPAC name is methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate
PubChem CID134591238
Molecular FormulaC21H30Cl2O2
Molecular Weight385.38 g/mol
Exact Mass384.16
IUPAC Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate
SMILESCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C1CCCCC[C@@H](C)CCC1
InChIInChI=1S/C21H30Cl2O2/c1-15-7-4-3-5-9-16(10-6-8-15)19(21(24)25-2)13-17-11-12-18(22)14-20(17)23/h11-12,14-16,19H,3-10,13H2,1-2H3/t15-,16?,19-/m1/s1
InChIKeyNNDFWPHHOYYCJH-XBOMOHCESA-N
XLogP6.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
CID 70875789
methyl (2R)-3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-2-[(3R)-3-methylcyclodecyl]propanoate
CID 134591242
methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate
CID 170904406
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
2-(2,4-dichlorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192122
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 86970189
methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate
CID 59505092
[2-(2,4-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277164

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate?
The IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate (CID 134591238) is methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate.
What is the SMILES notation for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate?
The canonical SMILES for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate is COC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C1CCCCC[C@@H](C)CCC1.
What is the InChIKey of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate?
The InChIKey is NNDFWPHHOYYCJH-XBOMOHCESA-N. The full InChI is InChI=1S/C21H30Cl2O2/c1-15-7-4-3-5-9-16(10-6-8-15)19(21(24)25-2)13-17-11-12-18(22)14-20(17)23/h11-12,14-16,19H,3-10,13H2,1-2H3/t15-,16?,19-/m1/s1.
What are the key properties of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate?
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate has a molecular weight of 385.38 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate is sourced from PubChem (CID 134591238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).