1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane

C145H207Cl9F5NO16 — CID 162264369

IUPAC1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane
SMILESCC(C)(C)COc1ccc(Cl)c(Cl)c1.CC(C)(C)COc1ccc(Cl)c(F)c1.CC(C)(C)COc1ccc(F)c(Cl)c1.CC(C)(C)COc1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)COc1ccc2c(c1)CCC(C)(C)O2.CC(C)(C)COc1ccc2c(c1)CCCC2.CC(C)(C)COc1ccc2c(c1)OC(C)(C)CC2.CC(C)(C)Oc1ccc(Cl)c(Cl)c1.CC(C)COc1ccc(OCC(C)(C)C)cc1Cl.CC(C)COc1ncc(OCC(C)(C)C)cc1Cl.CC(C)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/2C16H24O2.C15H23ClO2.C15H22O.C14H22ClNO2.C14H24O.C12H14ClF3O2.C11H14Cl2O.2C11H14ClFO.C10H12Cl2O/c1-15(2,3)11-17-13-6-7-14-12(10-13)8-9-16(4,5)18-14;1-15(2,3)11-17-13-7-6-12-8-9-16(4,5)18-14(12)10-13;1-11(2)9-17-14-7-6-12(8-13(14)16)18-10-15(3,4)5;1-15(2,3)11-16-14-9-8-12-6-4-5-7-13(12)10-14;1-10(2)8-17-13-12(15)6-11(7-16-13)18-9-14(3,4)5;1-10(2)15-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-11(2,3)7-17-8-4-5-10(9(13)6-8)18-12(14,15)16;1-11(2,3)7-14-8-4-5-9(12)10(13)6-8;1-11(2,3)7-14-8-4-5-10(13)9(12)6-8;1-11(2,3)7-14-8-4-5-9(12)10(13)6-8;1-10(2,3)13-7-4-5-8(11)9(12)6-7/h2*6-7,10H,8-9,11H2,1-5H3;6-8,11H,9-10H2,1-5H3;8-10H,4-7,11H2,1-3H3;6-7,10H,8-9H2,1-5H3;10-13H,3-9H2,1-2H3;4-6H,7H2,1-3H3;3*4-6H,7H2,1-3H3;4-6H,1-3H3
InChIKeyZZRRCENLFLJWKX-UHFFFAOYSA-N
MW2634.31 g/mol
LogP46.10
Rot. Bonds29

About 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane

1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane (PubChem CID 162264369) has the molecular formula C145H207Cl9F5NO16 and a molecular weight of 2634.31 g/mol. Its IUPAC name is 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane.

Molecular Properties

Compound Name1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane
PubChem CID162264369
Molecular FormulaC145H207Cl9F5NO16
Molecular Weight2634.31 g/mol
Exact Mass2628.25
IUPAC Name1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane
SMILESCC(C)(C)COc1ccc(Cl)c(Cl)c1.CC(C)(C)COc1ccc(Cl)c(F)c1.CC(C)(C)COc1ccc(F)c(Cl)c1.CC(C)(C)COc1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)COc1ccc2c(c1)CCC(C)(C)O2.CC(C)(C)COc1ccc2c(c1)CCCC2.CC(C)(C)COc1ccc2c(c1)OC(C)(C)CC2.CC(C)(C)Oc1ccc(Cl)c(Cl)c1.CC(C)COc1ccc(OCC(C)(C)C)cc1Cl.CC(C)COc1ncc(OCC(C)(C)C)cc1Cl.CC(C)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/2C16H24O2.C15H23ClO2.C15H22O.C14H22ClNO2.C14H24O.C12H14ClF3O2.C11H14Cl2O.2C11H14ClFO.C10H12Cl2O/c1-15(2,3)11-17-13-6-7-14-12(10-13)8-9-16(4,5)18-14;1-15(2,3)11-17-13-7-6-12-8-9-16(4,5)18-14(12)10-13;1-11(2)9-17-14-7-6-12(8-13(14)16)18-10-15(3,4)5;1-15(2,3)11-16-14-9-8-12-6-4-5-7-13(12)10-14;1-10(2)8-17-13-12(15)6-11(7-16-13)18-9-14(3,4)5;1-10(2)15-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-11(2,3)7-17-8-4-5-10(9(13)6-8)18-12(14,15)16;1-11(2,3)7-14-8-4-5-9(12)10(13)6-8;1-11(2,3)7-14-8-4-5-10(13)9(12)6-8;1-11(2,3)7-14-8-4-5-9(12)10(13)6-8;1-10(2,3)13-7-4-5-8(11)9(12)6-7/h2*6-7,10H,8-9,11H2,1-5H3;6-8,11H,9-10H2,1-5H3;8-10H,4-7,11H2,1-3H3;6-7,10H,8-9H2,1-5H3;10-13H,3-9H2,1-2H3;4-6H,7H2,1-3H3;3*4-6H,7H2,1-3H3;4-6H,1-3H3
InChIKeyZZRRCENLFLJWKX-UHFFFAOYSA-N
XLogP46.10
TPSA160.57 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002634.31
LogP ≤ 546.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;4-(2,2-dimethylpropoxy)-1,2-difluorobenzene;4-(2,2-dimethylpropoxy)-1,1-difluorocyclohexane;6-(2,2-dimethylpropoxy)-3,3-dimethyl-2,4-dihydro-1H-naphthalene;7-(2,2-dimethylpropoxy)-3,3-dimethyl-2,4-dihydro-1H-naphthalene;1-(2,2-dimethylpropoxy)-4-(trifluoromethyl)cyclohexane;(2-methylpropan-2-yl)oxymethylcyclohexane;6-[(2-methylpropan-2-yl)oxymethyl]spiro[2.5]octane
CID 157827694
1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;4-(2,2-dimethylpropoxy)-1,2-difluorobenzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-3,3-dimethyl-2,4-dihydro-1H-naphthalene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(2,2-dimethylpropoxy)-4-(trifluoromethyl)cyclohexane;(2-methylpropan-2-yl)oxymethylcyclohexane;1-(propan-2-yloxymethyl)adamantane
CID 158245836
1-Chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane
CID 159139657
5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-chloro-3-(2,2-dimethylpropoxy)-5-(trifluoromethoxy)benzene;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(2,2-dimethylpropoxy)-3-fluoro-5-(trifluoromethyl)benzene;1-[(2-methylpropan-2-yl)oxymethyl]adamantane
CID 159533617
1-Chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane
CID 159901592
CID 160575347
CID 160575347
1-Chloro-3-(2,2-dimethylpropoxy)-5-(trifluoromethoxy)benzene;3-chloro-2-ethoxy-5-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(2,2-dimethylpropoxy)-3-fluoro-5-(trifluoromethyl)benzene;1-(propan-2-yloxymethyl)adamantane
CID 161395003
1-Chloro-3-(4-methylphenoxy)benzene;1-chloro-4-(4-methylphenoxy)benzene;3-chloro-2-(4-methylphenoxy)-5-(trifluoromethyl)pyridine;1,2-dichloro-4-(4-methylphenoxy)benzene;1,3-dichloro-5-(4-methylphenoxy)benzene;1-fluoro-4-(4-methylphenoxy)benzene;1-methoxy-3-(4-methylphenoxy)benzene;1-methoxy-4-(4-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-(4-methylphenoxy)-3,5-bis(trifluoromethyl)benzene;2-(4-methylphenoxy)pyridine;3-(4-methylphenoxy)pyridine;4-(4-methylphenoxy)pyridine;1-methyl-4-[3-(trifluoromethyl)phenoxy]benzene;1-methyl-4-[4-(trifluoromethyl)phenoxy]benzene
CID 162196532

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane?
The IUPAC name of 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane (CID 162264369) is 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane.
What is the SMILES notation for 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane?
The canonical SMILES for 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane is CC(C)(C)COc1ccc(Cl)c(Cl)c1.CC(C)(C)COc1ccc(Cl)c(F)c1.CC(C)(C)COc1ccc(F)c(Cl)c1.CC(C)(C)COc1ccc(OC(F)(F)F)c(Cl)c1.CC(C)(C)COc1ccc2c(c1)CCC(C)(C)O2.CC(C)(C)COc1ccc2c(c1)CCCC2.CC(C)(C)COc1ccc2c(c1)OC(C)(C)CC2.CC(C)(C)Oc1ccc(Cl)c(Cl)c1.CC(C)COc1ccc(OCC(C)(C)C)cc1Cl.CC(C)COc1ncc(OCC(C)(C)C)cc1Cl.CC(C)OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane?
The InChIKey is ZZRRCENLFLJWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24O2.C15H23ClO2.C15H22O.C14H22ClNO2.C14H24O.C12H14ClF3O2.C11H14Cl2O.2C11H14ClFO.C10H12Cl2O/c1-15(2,3)11-17-13-6-7-14-12(10-13)8-9-16(4,5)18-14;1-15(2,3)11-17-13-7-6-12-8-9-16(4,5)18-14(12)10-13;1-11(2)9-17-14-7-6-12(8-13(14)16)18-10-15(3,4)5;1-15(2,3)11-16-14-9-8-12-6-4-5-7-13(12)10-14;1-10(2)8-17-13-12(15)6-11(7-16-13)18-9-14(3,4)5;1-10(2)15-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-11(2,3)7-17-8-4-5-10(9(13)6-8)18-12(14,15)16;1-11(2,3)7-14-8-4-5-9(12)10(13)6-8;1-11(2,3)7-14-8-4-5-10(13)9(12)6-8;1-11(2,3)7-14-8-4-5-9(12)10(13)6-8;1-10(2,3)13-7-4-5-8(11)9(12)6-7/h2*6-7,10H,8-9,11H2,1-5H3;6-8,11H,9-10H2,1-5H3;8-10H,4-7,11H2,1-3H3;6-7,10H,8-9H2,1-5H3;10-13H,3-9H2,1-2H3;4-6H,7H2,1-3H3;3*4-6H,7H2,1-3H3;4-6H,1-3H3.
What are the key properties of 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane?
1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane has a molecular weight of 2634.31 g/mol, XLogP of 46.10, 29 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,2-dimethylpropoxy)-2-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;2-chloro-4-(2,2-dimethylpropoxy)-1-(2-methylpropoxy)benzene;3-chloro-5-(2,2-dimethylpropoxy)-2-(2-methylpropoxy)pyridine;2-chloro-4-(2,2-dimethylpropoxy)-1-(trifluoromethoxy)benzene;1,2-dichloro-4-(2,2-dimethylpropoxy)benzene;1,2-dichloro-4-[(2-methylpropan-2-yl)oxy]benzene;6-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;7-(2,2-dimethylpropoxy)-2,2-dimethyl-3,4-dihydrochromene;6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydronaphthalene;1-(propan-2-yloxymethyl)adamantane is sourced from PubChem (CID 162264369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).