1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium

C136H162F6O16S3 — CID 160506642

IUPAC1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium
SMILESCCC(C)c1ccc(O)c2ccccc12.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(Cc2ccc3ccccc3c2)OC)c2ccccc12.CCC(C)c1ccc(OC(OC)C2CCOc3ccccc32)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCOC(Oc1ccc(C(C)CC)cc1)C1CCCC2CCCCC21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H28O2.C23H36O2.C21H26O3.C18H15S.C14H16O.C13H14F6O6S2.2C10H14O/c1-4-19(2)23-15-16-26(25-12-8-7-11-24(23)25)29-27(28-3)18-20-13-14-21-9-5-6-10-22(21)17-20;1-4-17(3)18-13-15-20(16-14-18)25-23(24-5-2)22-12-8-10-19-9-6-7-11-21(19)22;1-4-15(2)16-9-11-17(12-10-16)24-21(22-3)19-13-14-23-20-8-6-5-7-18(19)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;2*1-3-8(2)9-4-6-10(11)7-5-9/h5-17,19,27H,4,18H2,1-3H3;13-17,19,21-23H,4-12H2,1-3H3;5-12,15,19,21H,4,13-14H2,1-3H3;1-15H;4-10,15H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,20,21,22);2*4-8,11H,3H2,1-2H3/q;;;+1;;;;/p-1
InChIKeyQSMNWBOVNONRLC-UHFFFAOYSA-M
MW2262.96 g/mol
LogP36.69
Rot. Bonds37

About 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium

1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium (PubChem CID 160506642) has the molecular formula C136H162F6O16S3 and a molecular weight of 2262.96 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium
PubChem CID160506642
Molecular FormulaC136H162F6O16S3
Molecular Weight2262.96 g/mol
Exact Mass2261.09
IUPAC Name1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium
SMILESCCC(C)c1ccc(O)c2ccccc12.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(Cc2ccc3ccccc3c2)OC)c2ccccc12.CCC(C)c1ccc(OC(OC)C2CCOc3ccccc32)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCOC(Oc1ccc(C(C)CC)cc1)C1CCCC2CCCCC21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H28O2.C23H36O2.C21H26O3.C18H15S.C14H16O.C13H14F6O6S2.2C10H14O/c1-4-19(2)23-15-16-26(25-12-8-7-11-24(23)25)29-27(28-3)18-20-13-14-21-9-5-6-10-22(21)17-20;1-4-17(3)18-13-15-20(16-14-18)25-23(24-5-2)22-12-8-10-19-9-6-7-11-21(19)22;1-4-15(2)16-9-11-17(12-10-16)24-21(22-3)19-13-14-23-20-8-6-5-7-18(19)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;2*1-3-8(2)9-4-6-10(11)7-5-9/h5-17,19,27H,4,18H2,1-3H3;13-17,19,21-23H,4-12H2,1-3H3;5-12,15,19,21H,4,13-14H2,1-3H3;1-15H;4-10,15H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,20,21,22);2*4-8,11H,3H2,1-2H3/q;;;+1;;;;/p-1
InChIKeyQSMNWBOVNONRLC-UHFFFAOYSA-M
XLogP36.69
TPSA225.87 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002262.96
LogP ≤ 536.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?
The IUPAC name of 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium (CID 160506642) is 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium.
What is the SMILES notation for 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?
The canonical SMILES for 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium is CCC(C)c1ccc(O)c2ccccc12.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(Cc2ccc3ccccc3c2)OC)c2ccccc12.CCC(C)c1ccc(OC(OC)C2CCOc3ccccc32)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCOC(Oc1ccc(C(C)CC)cc1)C1CCCC2CCCCC21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?
The InChIKey is QSMNWBOVNONRLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H28O2.C23H36O2.C21H26O3.C18H15S.C14H16O.C13H14F6O6S2.2C10H14O/c1-4-19(2)23-15-16-26(25-12-8-7-11-24(23)25)29-27(28-3)18-20-13-14-21-9-5-6-10-22(21)17-20;1-4-17(3)18-13-15-20(16-14-18)25-23(24-5-2)22-12-8-10-19-9-6-7-11-21(19)22;1-4-15(2)16-9-11-17(12-10-16)24-21(22-3)19-13-14-23-20-8-6-5-7-18(19)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;2*1-3-8(2)9-4-6-10(11)7-5-9/h5-17,19,27H,4,18H2,1-3H3;13-17,19,21-23H,4-12H2,1-3H3;5-12,15,19,21H,4,13-14H2,1-3H3;1-15H;4-10,15H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,20,21,22);2*4-8,11H,3H2,1-2H3/q;;;+1;;;;/p-1.
What are the key properties of 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?
1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium has a molecular weight of 2262.96 g/mol, XLogP of 36.69, 37 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-methoxy-2-naphthalen-2-ylethoxy)naphthalene;4-butan-2-ylnaphthalen-1-ol;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;4-[(4-butan-2-ylphenoxy)-methoxymethyl]-3,4-dihydro-2H-chromene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium is sourced from PubChem (CID 160506642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).