1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene

C189H226O15S — CID 158690903

IUPAC1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene
SMILESCCC(C)c1ccc(OC(OC)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C2CCSc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCOc2ccc(C3CCCCC3)cc2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCc2ccccc2)C2C=Cc3ccccc32)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C1C=Cc2ccccc21
InChIInChI=1S/C34H40O3.C30H38O2S.C28H36O2.C28H30O2.C26H32O2.C22H26O2.C21H24O2/c1-3-25(2)26-13-20-31(21-14-26)37-34(33-22-17-29-11-7-8-12-32(29)33)36-24-23-35-30-18-15-28(16-19-30)27-9-5-4-6-10-27;1-3-19(2)20-11-13-22(14-12-20)31-30(26-15-16-33-29-10-5-4-7-25(26)29)32-28-18-21-17-27(28)24-9-6-8-23(21)24;2*1-3-21(2)23-13-16-25(17-14-23)30-28(29-20-19-22-9-5-4-6-10-22)27-18-15-24-11-7-8-12-26(24)27;1-3-19(2)20-13-16-23(17-14-20)28-26(27-22-10-5-4-6-11-22)25-18-15-21-9-7-8-12-24(21)25;1-4-16(3)17-10-13-19(14-11-17)24-22(23-5-2)21-15-12-18-8-6-7-9-20(18)21;1-4-15(2)16-9-12-18(13-10-16)23-21(22-3)20-14-11-17-7-5-6-8-19(17)20/h7-8,11-22,25,27,33-34H,3-6,9-10,23-24H2,1-2H3;4-5,7,10-14,19,21,23-24,26-28,30H,3,6,8-9,15-18H2,1-2H3;7-8,11-18,21-22,27-28H,3-6,9-10,19-20H2,1-2H3;4-18,21,27-28H,3,19-20H2,1-2H3;7-9,12-19,22,25-26H,3-6,10-11H2,1-2H3;6-16,21-22H,4-5H2,1-3H3;5-15,20-21H,4H2,1-3H3
InChIKeyIGIIOIZHTCQCPV-UHFFFAOYSA-N
MW2769.94 g/mol
LogP49.74
Rot. Bonds56

About 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene

1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene (PubChem CID 158690903) has the molecular formula C189H226O15S and a molecular weight of 2769.94 g/mol. Its IUPAC name is 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene
PubChem CID158690903
Molecular FormulaC189H226O15S
Molecular Weight2769.94 g/mol
Exact Mass2767.66
IUPAC Name1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene
SMILESCCC(C)c1ccc(OC(OC)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C2CCSc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCOc2ccc(C3CCCCC3)cc2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCc2ccccc2)C2C=Cc3ccccc32)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C1C=Cc2ccccc21
InChIInChI=1S/C34H40O3.C30H38O2S.C28H36O2.C28H30O2.C26H32O2.C22H26O2.C21H24O2/c1-3-25(2)26-13-20-31(21-14-26)37-34(33-22-17-29-11-7-8-12-32(29)33)36-24-23-35-30-18-15-28(16-19-30)27-9-5-4-6-10-27;1-3-19(2)20-11-13-22(14-12-20)31-30(26-15-16-33-29-10-5-4-7-25(26)29)32-28-18-21-17-27(28)24-9-6-8-23(21)24;2*1-3-21(2)23-13-16-25(17-14-23)30-28(29-20-19-22-9-5-4-6-10-22)27-18-15-24-11-7-8-12-26(24)27;1-3-19(2)20-13-16-23(17-14-20)28-26(27-22-10-5-4-6-11-22)25-18-15-21-9-7-8-12-24(21)25;1-4-16(3)17-10-13-19(14-11-17)24-22(23-5-2)21-15-12-18-8-6-7-9-20(18)21;1-4-15(2)16-9-12-18(13-10-16)23-21(22-3)20-14-11-17-7-5-6-8-19(17)20/h7-8,11-22,25,27,33-34H,3-6,9-10,23-24H2,1-2H3;4-5,7,10-14,19,21,23-24,26-28,30H,3,6,8-9,15-18H2,1-2H3;7-8,11-18,21-22,27-28H,3-6,9-10,19-20H2,1-2H3;4-18,21,27-28H,3,19-20H2,1-2H3;7-9,12-19,22,25-26H,3-6,10-11H2,1-2H3;6-16,21-22H,4-5H2,1-3H3;5-15,20-21H,4H2,1-3H3
InChIKeyIGIIOIZHTCQCPV-UHFFFAOYSA-N
XLogP49.74
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds56
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.94
LogP ≤ 549.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene?
The IUPAC name of 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene (CID 158690903) is 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene is CCC(C)c1ccc(OC(OC)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C2CCSc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCOc2ccc(C3CCCCC3)cc2)C2C=Cc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCc2ccccc2)C2C=Cc3ccccc32)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C1C=Cc2ccccc21.
What is the InChIKey of 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene?
The InChIKey is IGIIOIZHTCQCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40O3.C30H38O2S.C28H36O2.C28H30O2.C26H32O2.C22H26O2.C21H24O2/c1-3-25(2)26-13-20-31(21-14-26)37-34(33-22-17-29-11-7-8-12-32(29)33)36-24-23-35-30-18-15-28(16-19-30)27-9-5-4-6-10-27;1-3-19(2)20-11-13-22(14-12-20)31-30(26-15-16-33-29-10-5-4-7-25(26)29)32-28-18-21-17-27(28)24-9-6-8-23(21)24;2*1-3-21(2)23-13-16-25(17-14-23)30-28(29-20-19-22-9-5-4-6-10-22)27-18-15-24-11-7-8-12-26(24)27;1-3-19(2)20-13-16-23(17-14-20)28-26(27-22-10-5-4-6-11-22)25-18-15-21-9-7-8-12-24(21)25;1-4-16(3)17-10-13-19(14-11-17)24-22(23-5-2)21-15-12-18-8-6-7-9-20(18)21;1-4-15(2)16-9-12-18(13-10-16)23-21(22-3)20-14-11-17-7-5-6-8-19(17)20/h7-8,11-22,25,27,33-34H,3-6,9-10,23-24H2,1-2H3;4-5,7,10-14,19,21,23-24,26-28,30H,3,6,8-9,15-18H2,1-2H3;7-8,11-18,21-22,27-28H,3-6,9-10,19-20H2,1-2H3;4-18,21,27-28H,3,19-20H2,1-2H3;7-9,12-19,22,25-26H,3-6,10-11H2,1-2H3;6-16,21-22H,4-5H2,1-3H3;5-15,20-21H,4H2,1-3H3.
What are the key properties of 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene?
1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene has a molecular weight of 2769.94 g/mol, XLogP of 49.74, 56 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 158690903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).