tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane

C64H72Cl6I2O8 — CID 162200324

IUPACtert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane
SMILESC.C.CC(C)(C)OC(=O)CCC1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.ICI.O=C(O)CCC1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.O=C1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C24H28Cl2O3.C20H20Cl2O3.C17H14Cl2O2.CH2I2.2CH4/c1-24(2,3)29-23(27)12-8-16-7-9-18-14-19(11-10-17(18)13-16)28-15-20-21(25)5-4-6-22(20)26;21-18-2-1-3-19(22)17(18)12-25-16-8-7-14-10-13(5-9-20(23)24)4-6-15(14)11-16;18-16-2-1-3-17(19)15(16)10-21-14-7-5-11-8-13(20)6-4-12(11)9-14;2-1-3;;/h4-6,10-11,14,16H,7-9,12-13,15H2,1-3H3;1-3,7-8,11,13H,4-6,9-10,12H2,(H,23,24);1-3,5,7,9H,4,6,8,10H2;1H2;2*1H4
InChIKeyZRMMRJLLGITKAL-UHFFFAOYSA-N
MW1435.80 g/mol
LogP20.06
Rot. Bonds15

About tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane

tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane (PubChem CID 162200324) has the molecular formula C64H72Cl6I2O8 and a molecular weight of 1435.80 g/mol. Its IUPAC name is tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane.

Molecular Properties

Compound Nametert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane
PubChem CID162200324
Molecular FormulaC64H72Cl6I2O8
Molecular Weight1435.80 g/mol
Exact Mass1432.14
IUPAC Nametert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane
SMILESC.C.CC(C)(C)OC(=O)CCC1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.ICI.O=C(O)CCC1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.O=C1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C24H28Cl2O3.C20H20Cl2O3.C17H14Cl2O2.CH2I2.2CH4/c1-24(2,3)29-23(27)12-8-16-7-9-18-14-19(11-10-17(18)13-16)28-15-20-21(25)5-4-6-22(20)26;21-18-2-1-3-19(22)17(18)12-25-16-8-7-14-10-13(5-9-20(23)24)4-6-15(14)11-16;18-16-2-1-3-17(19)15(16)10-21-14-7-5-11-8-13(20)6-4-12(11)9-14;2-1-3;;/h4-6,10-11,14,16H,7-9,12-13,15H2,1-3H3;1-3,7-8,11,13H,4-6,9-10,12H2,(H,23,24);1-3,5,7,9H,4,6,8,10H2;1H2;2*1H4
InChIKeyZRMMRJLLGITKAL-UHFFFAOYSA-N
XLogP20.06
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001435.80
LogP ≤ 520.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane?
The IUPAC name of tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane (CID 162200324) is tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane.
What is the SMILES notation for tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane?
The canonical SMILES for tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane is C.C.CC(C)(C)OC(=O)CCC1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.ICI.O=C(O)CCC1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.O=C1CCc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.
What is the InChIKey of tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane?
The InChIKey is ZRMMRJLLGITKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2O3.C20H20Cl2O3.C17H14Cl2O2.CH2I2.2CH4/c1-24(2,3)29-23(27)12-8-16-7-9-18-14-19(11-10-17(18)13-16)28-15-20-21(25)5-4-6-22(20)26;21-18-2-1-3-19(22)17(18)12-25-16-8-7-14-10-13(5-9-20(23)24)4-6-15(14)11-16;18-16-2-1-3-17(19)15(16)10-21-14-7-5-11-8-13(20)6-4-12(11)9-14;2-1-3;;/h4-6,10-11,14,16H,7-9,12-13,15H2,1-3H3;1-3,7-8,11,13H,4-6,9-10,12H2,(H,23,24);1-3,5,7,9H,4,6,8,10H2;1H2;2*1H4.
What are the key properties of tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane?
tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane has a molecular weight of 1435.80 g/mol, XLogP of 20.06, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate;6-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-1H-naphthalen-2-one;3-[6-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid;diiodomethane;methane is sourced from PubChem (CID 162200324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).