1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene

C325H494O76 — CID 158222787

IUPAC1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene
SMILESCCCCCCCOc1ccc(C(=O)OC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCOC)cc1.CCCCCOc1ccc(C(=O)OC)cc1.CCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCOC)cc1.CCCOc1ccc(C(=O)OC)cc1.CCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCOc1ccc(C(=O)OCCCCOC)cc1.CCCOc1ccccc1.CCc1ccc(C(=O)OC)cc1.COC(=O)c1ccc(C)cc1.COCCCCCCOCc1ccc(OCCCCCCOC)cc1.COCCCCCCOCc1ccc(OCCCCOC)cc1.COCCCCCCOCc1ccc(OCCOC)cc1.COCCCCCCOc1ccc(COCCCCOC)cc1.COCCCCOCc1ccc(OCCCCOC)cc1.COCCOC=O.COCCOc1ccc(C(=O)OC)cc1.COCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H36O4.C21H34O4.2C19H32O4.2C19H30O4.2C17H28O4.3C17H26O4.2C15H22O4.C15H22O3.C13H18O3.C11H14O4.C11H14O3.C10H12O3.C10H12O2.C9H10O2.C9H12O.C4H8O3/c1-22-15-7-3-5-9-17-24-19-20-11-13-21(14-12-20)25-18-10-6-4-8-16-23-2;1-3-4-5-6-10-17-24-20-14-12-19(13-15-20)21(22)25-18-11-8-7-9-16-23-2;1-20-13-5-3-4-6-16-23-19-11-9-18(10-12-19)17-22-15-8-7-14-21-2;1-20-13-5-3-4-6-15-22-17-18-9-11-19(12-10-18)23-16-8-7-14-21-2;1-3-4-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-6-5-8-14-21-2;1-3-4-5-6-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-8-14-21-2;1-18-11-3-5-13-20-15-16-7-9-17(10-8-16)21-14-6-4-12-19-2;1-18-11-5-3-4-6-12-20-15-16-7-9-17(10-8-16)21-14-13-19-2;1-3-12-20-16-10-8-15(9-11-16)17(18)21-14-7-5-4-6-13-19-2;1-3-4-5-13-20-16-10-8-15(9-11-16)17(18)21-14-7-6-12-19-2;1-3-4-5-6-7-12-20-16-10-8-15(9-11-16)17(18)21-14-13-19-2;1-3-10-18-14-8-6-13(7-9-14)15(16)19-12-5-4-11-17-2;1-3-4-5-10-18-14-8-6-13(7-9-14)15(16)19-12-11-17-2;1-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17-2;1-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15-2;1-13-7-8-15-10-5-3-9(4-6-10)11(12)14-2;1-3-8-14-10-6-4-9(5-7-10)11(12)13-2;1-12-7-8-3-5-9(6-4-8)10(11)13-2;1-3-8-4-6-9(7-5-8)10(11)12-2;1-7-3-5-8(6-4-7)9(10)11-2;1-2-8-10-9-6-4-3-5-7-9;1-6-2-3-7-4-5/h11-14H,3-10,15-19H2,1-2H3;12-15H,3-11,16-18H2,1-2H3;2*9-12H,3-8,13-17H2,1-2H3;2*10-13H,3-9,14-16H2,1-2H3;2*7-10H,3-6,11-15H2,1-2H3;3*8-11H,3-7,12-14H2,1-2H3;2*6-9H,3-5,10-12H2,1-2H3;8-11H,3-7,12H2,1-2H3;6-9H,3-5,10H2,1-2H3;3-6H,7-8H2,1-2H3;4-7H,3,8H2,1-2H3;3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;3-6H,1-2H3;3-7H,2,8H2,1H3;4H,2-3H2,1H3
InChIKeyGDLFJCHPHJIBQL-UHFFFAOYSA-N
MW5617.45 g/mol
LogP70.91
Rot. Bonds201

About 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene

1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene (PubChem CID 158222787) has the molecular formula C325H494O76 and a molecular weight of 5617.45 g/mol. Its IUPAC name is 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene.

Molecular Properties

Compound Name1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene
PubChem CID158222787
Molecular FormulaC325H494O76
Molecular Weight5617.45 g/mol
Exact Mass5613.48
IUPAC Name1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene
SMILESCCCCCCCOc1ccc(C(=O)OC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCOC)cc1.CCCCCOc1ccc(C(=O)OC)cc1.CCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCOC)cc1.CCCOc1ccc(C(=O)OC)cc1.CCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCOc1ccc(C(=O)OCCCCOC)cc1.CCCOc1ccccc1.CCc1ccc(C(=O)OC)cc1.COC(=O)c1ccc(C)cc1.COCCCCCCOCc1ccc(OCCCCCCOC)cc1.COCCCCCCOCc1ccc(OCCCCOC)cc1.COCCCCCCOCc1ccc(OCCOC)cc1.COCCCCCCOc1ccc(COCCCCOC)cc1.COCCCCOCc1ccc(OCCCCOC)cc1.COCCOC=O.COCCOc1ccc(C(=O)OC)cc1.COCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H36O4.C21H34O4.2C19H32O4.2C19H30O4.2C17H28O4.3C17H26O4.2C15H22O4.C15H22O3.C13H18O3.C11H14O4.C11H14O3.C10H12O3.C10H12O2.C9H10O2.C9H12O.C4H8O3/c1-22-15-7-3-5-9-17-24-19-20-11-13-21(14-12-20)25-18-10-6-4-8-16-23-2;1-3-4-5-6-10-17-24-20-14-12-19(13-15-20)21(22)25-18-11-8-7-9-16-23-2;1-20-13-5-3-4-6-16-23-19-11-9-18(10-12-19)17-22-15-8-7-14-21-2;1-20-13-5-3-4-6-15-22-17-18-9-11-19(12-10-18)23-16-8-7-14-21-2;1-3-4-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-6-5-8-14-21-2;1-3-4-5-6-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-8-14-21-2;1-18-11-3-5-13-20-15-16-7-9-17(10-8-16)21-14-6-4-12-19-2;1-18-11-5-3-4-6-12-20-15-16-7-9-17(10-8-16)21-14-13-19-2;1-3-12-20-16-10-8-15(9-11-16)17(18)21-14-7-5-4-6-13-19-2;1-3-4-5-13-20-16-10-8-15(9-11-16)17(18)21-14-7-6-12-19-2;1-3-4-5-6-7-12-20-16-10-8-15(9-11-16)17(18)21-14-13-19-2;1-3-10-18-14-8-6-13(7-9-14)15(16)19-12-5-4-11-17-2;1-3-4-5-10-18-14-8-6-13(7-9-14)15(16)19-12-11-17-2;1-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17-2;1-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15-2;1-13-7-8-15-10-5-3-9(4-6-10)11(12)14-2;1-3-8-14-10-6-4-9(5-7-10)11(12)13-2;1-12-7-8-3-5-9(6-4-8)10(11)13-2;1-3-8-4-6-9(7-5-8)10(11)12-2;1-7-3-5-8(6-4-7)9(10)11-2;1-2-8-10-9-6-4-3-5-7-9;1-6-2-3-7-4-5/h11-14H,3-10,15-19H2,1-2H3;12-15H,3-11,16-18H2,1-2H3;2*9-12H,3-8,13-17H2,1-2H3;2*10-13H,3-9,14-16H2,1-2H3;2*7-10H,3-6,11-15H2,1-2H3;3*8-11H,3-7,12-14H2,1-2H3;2*6-9H,3-5,10-12H2,1-2H3;8-11H,3-7,12H2,1-2H3;6-9H,3-5,10H2,1-2H3;3-6H,7-8H2,1-2H3;4-7H,3,8H2,1-2H3;3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;3-6H,1-2H3;3-7H,2,8H2,1H3;4H,2-3H2,1H3
InChIKeyGDLFJCHPHJIBQL-UHFFFAOYSA-N
XLogP70.91
TPSA826.92 Ų
H-Bond Donors
H-Bond Acceptors76
Rotatable Bonds201
Heavy Atoms401
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005617.45
LogP ≤ 570.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1076

Analyze 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene with MolForge

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Launch Full Analysis

Related Compounds

4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;2-methoxyethyl 4-propoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate
CID 157442201
4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate
CID 161225274
5-formyloxypentyl 4-(4-methoxybutoxy)benzoate
CID 90194224
1-O-octyl 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 91741815
1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene;2-methoxyethyl 4-(4-phenylphenyl)benzoate
CID 158901184
3-formyloxypropyl 4-(6-methoxyhexoxy)benzoate
CID 122550535
1-hexoxy-4-(methoxymethyl)benzene;methyl 4-butoxybenzoate;methyl 4-chlorobenzoate;methyl 4-ethoxybenzoate;methyl 4-fluorobenzoate;tris(methyl 4-methylbenzoate);methyl 4-propoxybenzoate
CID 160844829
2-methoxyethyl 4-decoxybenzoate
CID 54021370
1-butoxy-4-methylbenzene;1-(butoxymethyl)-4-methylbenzene;1-(ethoxymethyl)-4-methylbenzene;1-(3-ethoxypropyl)-4-methylbenzene;1-(4-methoxybutyl)-4-methylbenzene;1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzene;1-(2-methoxyethoxy)-4-methylbenzene;1-(2-methoxyethyl)-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;1-(3-methoxypropyl)-4-methylbenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;1-methyl-4-(2-propoxyethyl)benzene
CID 160614405
3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene
CID 159354455
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
ethyl 4-(2-octoxyethoxy)benzoate
CID 10064743

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene?
The IUPAC name of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene (CID 158222787) is 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene.
What is the SMILES notation for 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene?
The canonical SMILES for 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene is CCCCCCCOc1ccc(C(=O)OC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCOC)cc1.CCCCCOc1ccc(C(=O)OC)cc1.CCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCOC)cc1.CCCOc1ccc(C(=O)OC)cc1.CCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCOc1ccc(C(=O)OCCCCOC)cc1.CCCOc1ccccc1.CCc1ccc(C(=O)OC)cc1.COC(=O)c1ccc(C)cc1.COCCCCCCOCc1ccc(OCCCCCCOC)cc1.COCCCCCCOCc1ccc(OCCCCOC)cc1.COCCCCCCOCc1ccc(OCCOC)cc1.COCCCCCCOc1ccc(COCCCCOC)cc1.COCCCCOCc1ccc(OCCCCOC)cc1.COCCOC=O.COCCOc1ccc(C(=O)OC)cc1.COCc1ccc(C(=O)OC)cc1.
What is the InChIKey of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene?
The InChIKey is GDLFJCHPHJIBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O4.C21H34O4.2C19H32O4.2C19H30O4.2C17H28O4.3C17H26O4.2C15H22O4.C15H22O3.C13H18O3.C11H14O4.C11H14O3.C10H12O3.C10H12O2.C9H10O2.C9H12O.C4H8O3/c1-22-15-7-3-5-9-17-24-19-20-11-13-21(14-12-20)25-18-10-6-4-8-16-23-2;1-3-4-5-6-10-17-24-20-14-12-19(13-15-20)21(22)25-18-11-8-7-9-16-23-2;1-20-13-5-3-4-6-16-23-19-11-9-18(10-12-19)17-22-15-8-7-14-21-2;1-20-13-5-3-4-6-15-22-17-18-9-11-19(12-10-18)23-16-8-7-14-21-2;1-3-4-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-6-5-8-14-21-2;1-3-4-5-6-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-8-14-21-2;1-18-11-3-5-13-20-15-16-7-9-17(10-8-16)21-14-6-4-12-19-2;1-18-11-5-3-4-6-12-20-15-16-7-9-17(10-8-16)21-14-13-19-2;1-3-12-20-16-10-8-15(9-11-16)17(18)21-14-7-5-4-6-13-19-2;1-3-4-5-13-20-16-10-8-15(9-11-16)17(18)21-14-7-6-12-19-2;1-3-4-5-6-7-12-20-16-10-8-15(9-11-16)17(18)21-14-13-19-2;1-3-10-18-14-8-6-13(7-9-14)15(16)19-12-5-4-11-17-2;1-3-4-5-10-18-14-8-6-13(7-9-14)15(16)19-12-11-17-2;1-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17-2;1-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15-2;1-13-7-8-15-10-5-3-9(4-6-10)11(12)14-2;1-3-8-14-10-6-4-9(5-7-10)11(12)13-2;1-12-7-8-3-5-9(6-4-8)10(11)13-2;1-3-8-4-6-9(7-5-8)10(11)12-2;1-7-3-5-8(6-4-7)9(10)11-2;1-2-8-10-9-6-4-3-5-7-9;1-6-2-3-7-4-5/h11-14H,3-10,15-19H2,1-2H3;12-15H,3-11,16-18H2,1-2H3;2*9-12H,3-8,13-17H2,1-2H3;2*10-13H,3-9,14-16H2,1-2H3;2*7-10H,3-6,11-15H2,1-2H3;3*8-11H,3-7,12-14H2,1-2H3;2*6-9H,3-5,10-12H2,1-2H3;8-11H,3-7,12H2,1-2H3;6-9H,3-5,10H2,1-2H3;3-6H,7-8H2,1-2H3;4-7H,3,8H2,1-2H3;3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;3-6H,1-2H3;3-7H,2,8H2,1H3;4H,2-3H2,1H3.
What are the key properties of 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene?
1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene has a molecular weight of 5617.45 g/mol, XLogP of 70.91, 201 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene is sourced from PubChem (CID 158222787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).