1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate

C209H247F3O18S2 — CID 157315735

IUPAC1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate
SMILESCC(C)(c1ccccc1)c1ccccc1.CC1CC2CC1C1C3CCC(C3)C21.CC1CCCc2ccccc21.CCCOC(=O)C(F)(F)F.CCCOC(=O)Cc1cccc2ccccc12.CCCOC(=O)Cc1ccccc1.CCCOC(=O)c1ccccc1.CCCOC(=S)Cc1ccccc1.CCCOc1c(-c2cccc(OC)c2)cccc1-c1cccc(OC)c1.CCCOc1c(-c2ccccc2)cccc1-c1ccccc1.CCCOc1ccc(-c2ccccc2)cc1.CCCOc1ccc(C2CCCCC2)cc1.CCCOc1ccc2ccccc2c1.CCCOc1cccc2ccccc12.CCCOc1ccccc1.CCCSc1ccccc1
InChIInChI=1S/C23H24O3.C21H20O.C15H16O2.C15H22O.C15H16O.C15H16.2C13H14O.C13H20.C11H14O2.C11H14OS.C11H14.C10H12O2.C9H12O.C9H12S.C5H7F3O2/c1-4-14-26-23-21(17-8-5-10-19(15-17)24-2)12-7-13-22(23)18-9-6-11-20(16-18)25-3;1-2-16-22-21-19(17-10-5-3-6-11-17)14-9-15-20(21)18-12-7-4-8-13-18;1-2-10-17-15(16)11-13-8-5-7-12-6-3-4-9-14(12)13;2*1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13;1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-2-8-13-11(12)9-10-6-4-3-5-7-10;1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2-8-12-10(11)9-6-4-3-5-7-9;2*1-2-8-10-9-6-4-3-5-7-9;1-2-3-10-4(9)5(6,7)8/h5-13,15-16H,4,14H2,1-3H3;3-15H,2,16H2,1H3;3-9H,2,10-11H2,1H3;8-11,13H,2-7,12H2,1H3;3-11H,2,12H2,1H3;3-12H,1-2H3;3-9H,2,10H2,1H3;3-8,10H,2,9H2,1H3;7-13H,2-6H2,1H3;2*3-7H,2,8-9H2,1H3;2-3,6,8-9H,4-5,7H2,1H3;3-7H,2,8H2,1H3;2*3-7H,2,8H2,1H3;2-3H2,1H3
InChIKeyBDOKYHPSFBADIL-UHFFFAOYSA-N
MW3168.38 g/mol
LogP55.94
Rot. Bonds51

About 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate

1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate (PubChem CID 157315735) has the molecular formula C209H247F3O18S2 and a molecular weight of 3168.38 g/mol. Its IUPAC name is 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate
PubChem CID157315735
Molecular FormulaC209H247F3O18S2
Molecular Weight3168.38 g/mol
Exact Mass3165.78
IUPAC Name1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate
SMILESCC(C)(c1ccccc1)c1ccccc1.CC1CC2CC1C1C3CCC(C3)C21.CC1CCCc2ccccc21.CCCOC(=O)C(F)(F)F.CCCOC(=O)Cc1cccc2ccccc12.CCCOC(=O)Cc1ccccc1.CCCOC(=O)c1ccccc1.CCCOC(=S)Cc1ccccc1.CCCOc1c(-c2cccc(OC)c2)cccc1-c1cccc(OC)c1.CCCOc1c(-c2ccccc2)cccc1-c1ccccc1.CCCOc1ccc(-c2ccccc2)cc1.CCCOc1ccc(C2CCCCC2)cc1.CCCOc1ccc2ccccc2c1.CCCOc1cccc2ccccc12.CCCOc1ccccc1.CCCSc1ccccc1
InChIInChI=1S/C23H24O3.C21H20O.C15H16O2.C15H22O.C15H16O.C15H16.2C13H14O.C13H20.C11H14O2.C11H14OS.C11H14.C10H12O2.C9H12O.C9H12S.C5H7F3O2/c1-4-14-26-23-21(17-8-5-10-19(15-17)24-2)12-7-13-22(23)18-9-6-11-20(16-18)25-3;1-2-16-22-21-19(17-10-5-3-6-11-17)14-9-15-20(21)18-12-7-4-8-13-18;1-2-10-17-15(16)11-13-8-5-7-12-6-3-4-9-14(12)13;2*1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13;1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-2-8-13-11(12)9-10-6-4-3-5-7-10;1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2-8-12-10(11)9-6-4-3-5-7-9;2*1-2-8-10-9-6-4-3-5-7-9;1-2-3-10-4(9)5(6,7)8/h5-13,15-16H,4,14H2,1-3H3;3-15H,2,16H2,1H3;3-9H,2,10-11H2,1H3;8-11,13H,2-7,12H2,1H3;3-11H,2,12H2,1H3;3-12H,1-2H3;3-9H,2,10H2,1H3;3-8,10H,2,9H2,1H3;7-13H,2-6H2,1H3;2*3-7H,2,8-9H2,1H3;2-3,6,8-9H,4-5,7H2,1H3;3-7H,2,8H2,1H3;2*3-7H,2,8H2,1H3;2-3H2,1H3
InChIKeyBDOKYHPSFBADIL-UHFFFAOYSA-N
XLogP55.94
TPSA197.50 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds51
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003168.38
LogP ≤ 555.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate with MolForge

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Related Compounds

[4-(2-Bicyclo[2.2.1]heptanyloxy)phenyl]-diphenylsulfanium;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;4-(4-diphenylsulfoniophenoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate
CID 157383521
[4-(2-Bicyclo[2.2.1]heptanyloxy)phenyl]-diphenylsulfanium;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;4-(4-diphenylsulfoniophenoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate
CID 157805880
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;methanesulfonate;triphenylsulfanium
CID 158251963
Bis(3,3-difluorobutan-2-yl adamantane-1-carboxylate);3,3-difluorobutan-2-yl adamantane-2-carboxylate;3,3-difluorobutan-2-yl naphthalene-2-carboxylate;3,3-difluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(triphenylsulfanium)
CID 158344828
(4-Tert-butylphenyl)-diphenylsulfanium;tetrakis(3,3-difluorobutan-2-yl adamantane-1-carboxylate);3,3-difluorobutan-2-yl adamantane-2-carboxylate;3,3-difluorobutan-2-yl naphthalene-2-carboxylate;3,3-difluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(triphenylsulfanium)
CID 158479071
2-(Adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
CID 158599821
1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate
CID 159403049
methyl 3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)benzoate;methyl 3-[(1S)-2,2-dimethylcyclopentyl]-4-(trifluoromethylperoxysulfanylmethyl)benzoate;methyl 3-[(1R)-2,2-dimethylcyclopentyl]-4-(trifluoromethylperoxysulfanyloxy)benzoate
CID 159556169
[4-(2-Bicyclo[2.2.1]heptanyloxy)phenyl]-diphenylsulfanium;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;4-(4-diphenylsulfoniophenoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate
CID 159659633
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;triphenylsulfanium
CID 159759525
Bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
CID 159887470
[4-(2-Bicyclo[2.2.1]heptanyloxy)phenyl]-diphenylsulfanium;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate
CID 159994112

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate?
The IUPAC name of 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate (CID 157315735) is 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate?
The canonical SMILES for 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate is CC(C)(c1ccccc1)c1ccccc1.CC1CC2CC1C1C3CCC(C3)C21.CC1CCCc2ccccc21.CCCOC(=O)C(F)(F)F.CCCOC(=O)Cc1cccc2ccccc12.CCCOC(=O)Cc1ccccc1.CCCOC(=O)c1ccccc1.CCCOC(=S)Cc1ccccc1.CCCOc1c(-c2cccc(OC)c2)cccc1-c1cccc(OC)c1.CCCOc1c(-c2ccccc2)cccc1-c1ccccc1.CCCOc1ccc(-c2ccccc2)cc1.CCCOc1ccc(C2CCCCC2)cc1.CCCOc1ccc2ccccc2c1.CCCOc1cccc2ccccc12.CCCOc1ccccc1.CCCSc1ccccc1.
What is the InChIKey of 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate?
The InChIKey is BDOKYHPSFBADIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3.C21H20O.C15H16O2.C15H22O.C15H16O.C15H16.2C13H14O.C13H20.C11H14O2.C11H14OS.C11H14.C10H12O2.C9H12O.C9H12S.C5H7F3O2/c1-4-14-26-23-21(17-8-5-10-19(15-17)24-2)12-7-13-22(23)18-9-6-11-20(16-18)25-3;1-2-16-22-21-19(17-10-5-3-6-11-17)14-9-15-20(21)18-12-7-4-8-13-18;1-2-10-17-15(16)11-13-8-5-7-12-6-3-4-9-14(12)13;2*1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13;1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-2-8-13-11(12)9-10-6-4-3-5-7-10;1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2-8-12-10(11)9-6-4-3-5-7-9;2*1-2-8-10-9-6-4-3-5-7-9;1-2-3-10-4(9)5(6,7)8/h5-13,15-16H,4,14H2,1-3H3;3-15H,2,16H2,1H3;3-9H,2,10-11H2,1H3;8-11,13H,2-7,12H2,1H3;3-11H,2,12H2,1H3;3-12H,1-2H3;3-9H,2,10H2,1H3;3-8,10H,2,9H2,1H3;7-13H,2-6H2,1H3;2*3-7H,2,8-9H2,1H3;2-3,6,8-9H,4-5,7H2,1H3;3-7H,2,8H2,1H3;2*3-7H,2,8H2,1H3;2-3H2,1H3.
What are the key properties of 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate?
1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate has a molecular weight of 3168.38 g/mol, XLogP of 55.94, 51 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methoxyphenyl)-2-propoxybenzene;1-cyclohexyl-4-propoxybenzene;1,3-diphenyl-2-propoxybenzene;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;1-methyl-1,2,3,4-tetrahydronaphthalene;2-phenylpropan-2-ylbenzene;1-phenyl-4-propoxybenzene;propoxybenzene;1-propoxynaphthalene;2-propoxynaphthalene;propyl benzoate;propyl 2-naphthalen-1-ylacetate;propyl 2-phenylacetate;O-propyl 2-phenylethanethioate;propylsulfanylbenzene;propyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 157315735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).