1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium

C179H214O13S2 — CID 157102735

IUPAC1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium
SMILESCC1Cc2ccccc2C1C.CC1c2cccc3cccc(c23)C1C.CC1c2cccc3cccc(c23)C1C.CCC(C)c1ccc(COc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CCCC2)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OCc2ccccc2)C(c2ccccc2)C(C)C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H34O2.C24H32O2.C23H30O2.C18H15S.C17H20O4S.2C14H14.C11H14.3C10H14O/c1-5-22(4)24-16-18-26(19-17-24)30-28(29-20-23-12-8-6-9-13-23)27(21(2)3)25-14-10-7-11-15-25;1-3-19(2)21-14-16-23(17-15-21)26-24(18-20-10-6-4-7-11-20)25-22-12-8-5-9-13-22;1-3-18(2)20-13-15-22(16-14-20)25-23(24-21-11-7-8-12-21)17-19-9-5-4-6-10-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)15-6-4-14(5-7-15)12-21-16-8-10-17(11-9-16)22(18,19)20;2*1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-8-7-10-5-3-4-6-11(10)9(8)2;3*1-3-8(2)9-4-6-10(11)7-5-9/h6-19,21-22,27-28H,5,20H2,1-4H3;4,6-7,10-11,14-17,19,22,24H,3,5,8-9,12-13,18H2,1-2H3;4-6,9-10,13-16,18,21,23H,3,7-8,11-12,17H2,1-2H3;1-15H;4-11,13H,3,12H2,1-2H3,(H,18,19,20);2*3-10H,1-2H3;3-6,8-9H,7H2,1-2H3;3*4-8,11H,3H2,1-2H3/q;;;+1;;;;;;;/p-1
InChIKeyAFYIMSKUVLHTJQ-UHFFFAOYSA-M
MW2637.80 g/mol
LogP48.45
Rot. Bonds41

About 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium

1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium (PubChem CID 157102735) has the molecular formula C179H214O13S2 and a molecular weight of 2637.80 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium
PubChem CID157102735
Molecular FormulaC179H214O13S2
Molecular Weight2637.80 g/mol
Exact Mass2635.55
IUPAC Name1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium
SMILESCC1Cc2ccccc2C1C.CC1c2cccc3cccc(c23)C1C.CC1c2cccc3cccc(c23)C1C.CCC(C)c1ccc(COc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CCCC2)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OCc2ccccc2)C(c2ccccc2)C(C)C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H34O2.C24H32O2.C23H30O2.C18H15S.C17H20O4S.2C14H14.C11H14.3C10H14O/c1-5-22(4)24-16-18-26(19-17-24)30-28(29-20-23-12-8-6-9-13-23)27(21(2)3)25-14-10-7-11-15-25;1-3-19(2)21-14-16-23(17-15-21)26-24(18-20-10-6-4-7-11-20)25-22-12-8-5-9-13-22;1-3-18(2)20-13-15-22(16-14-20)25-23(24-21-11-7-8-12-21)17-19-9-5-4-6-10-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)15-6-4-14(5-7-15)12-21-16-8-10-17(11-9-16)22(18,19)20;2*1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-8-7-10-5-3-4-6-11(10)9(8)2;3*1-3-8(2)9-4-6-10(11)7-5-9/h6-19,21-22,27-28H,5,20H2,1-4H3;4,6-7,10-11,14-17,19,22,24H,3,5,8-9,12-13,18H2,1-2H3;4-6,9-10,13-16,18,21,23H,3,7-8,11-12,17H2,1-2H3;1-15H;4-11,13H,3,12H2,1-2H3,(H,18,19,20);2*3-10H,1-2H3;3-6,8-9H,7H2,1-2H3;3*4-8,11H,3H2,1-2H3/q;;;+1;;;;;;;/p-1
InChIKeyAFYIMSKUVLHTJQ-UHFFFAOYSA-M
XLogP48.45
TPSA182.50 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds41
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002637.80
LogP ≤ 548.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;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-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium?
The IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium (CID 157102735) is 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium.
What is the SMILES notation for 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium?
The canonical SMILES for 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium is CC1Cc2ccccc2C1C.CC1c2cccc3cccc(c23)C1C.CC1c2cccc3cccc(c23)C1C.CCC(C)c1ccc(COc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CCCC2)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OCc2ccccc2)C(c2ccccc2)C(C)C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium?
The InChIKey is AFYIMSKUVLHTJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H34O2.C24H32O2.C23H30O2.C18H15S.C17H20O4S.2C14H14.C11H14.3C10H14O/c1-5-22(4)24-16-18-26(19-17-24)30-28(29-20-23-12-8-6-9-13-23)27(21(2)3)25-14-10-7-11-15-25;1-3-19(2)21-14-16-23(17-15-21)26-24(18-20-10-6-4-7-11-20)25-22-12-8-5-9-13-22;1-3-18(2)20-13-15-22(16-14-20)25-23(24-21-11-7-8-12-21)17-19-9-5-4-6-10-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)15-6-4-14(5-7-15)12-21-16-8-10-17(11-9-16)22(18,19)20;2*1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-8-7-10-5-3-4-6-11(10)9(8)2;3*1-3-8(2)9-4-6-10(11)7-5-9/h6-19,21-22,27-28H,5,20H2,1-4H3;4,6-7,10-11,14-17,19,22,24H,3,5,8-9,12-13,18H2,1-2H3;4-6,9-10,13-16,18,21,23H,3,7-8,11-12,17H2,1-2H3;1-15H;4-11,13H,3,12H2,1-2H3,(H,18,19,20);2*3-10H,1-2H3;3-6,8-9H,7H2,1-2H3;3*4-8,11H,3H2,1-2H3/q;;;+1;;;;;;;/p-1.
What are the key properties of 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium?
1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium has a molecular weight of 2637.80 g/mol, XLogP of 48.45, 41 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-cyclohexyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(1-cyclopentyloxy-2-phenylethoxy)benzene;1-butan-2-yl-4-(3-methyl-2-phenyl-1-phenylmethoxybutoxy)benzene;tris(4-butan-2-ylphenol);4-[(4-butan-2-ylphenyl)methoxy]benzenesulfonate;bis(1,2-dimethyl-1,2-dihydroacenaphthylene);1,2-dimethyl-2,3-dihydro-1H-indene;triphenylsulfanium is sourced from PubChem (CID 157102735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).