1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate

C143H197ClN4O23S3 — CID 165109185

About 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate

1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate (PubChem CID 165109185) has the molecular formula C143H197ClN4O23S3 and a molecular weight of 2471.81 g/mol. Its IUPAC name is 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate
• PubChem CID: 165109185
• Molecular Formula: C143H197ClN4O23S3
• Molecular Weight: 2471.81 g/mol
• Exact Mass: 2469.32
• IUPAC Name: 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate
• SMILES: C=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCNc1ccc(C(C)C)cc1.C=CC(=O)OCCNC(=O)OCCOc1ccc(C(C)C)cc1.C=CC(=O)OCCNc1ccc(C(C)C)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSC1=CCC=C1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccccc1.CC(C)c1ccc(OCC(OCC2CO2)C(C)C)cc1
• InChI: InChI=1S/C21H27ClO2S.C21H28O2S.C20H28O2S.C18H25NO5.C17H23NO5.C17H26O3.C15H21NO2.C14H19NO2/c1-15(2)17-5-9-19(10-6-17)23-13-20(24-16(3)4)14-25-21-11-7-18(22)8-12-21;1-16(2)18-10-12-19(13-11-18)22-14-20(23-17(3)4)15-24-21-8-6-5-7-9-21;1-15(2)17-9-11-18(12-10-17)21-13-19(22-16(3)4)14-23-20-7-5-6-8-20;1-13(2)15-5-7-16(8-6-15)22-11-12-24-18(21)19-9-10-23-17(20)14(3)4;1-4-16(19)22-10-9-18-17(20)23-12-11-21-15-7-5-14(6-8-15)13(2)3;1-12(2)14-5-7-15(8-6-14)19-11-17(13(3)4)20-10-16-9-18-16;1-11(2)13-5-7-14(8-6-13)16-9-10-18-15(17)12(3)4;1-4-14(16)17-10-9-15-13-7-5-12(6-8-13)11(2)3/h5-12,15-16,20H,13-14H2,1-4H3;5-13,16-17,20H,14-15H2,1-4H3;5,7-12,15-16,19H,6,13-14H2,1-4H3;5-8,13H,3,9-12H2,1-2,4H3,(H,19,21);4-8,13H,1,9-12H2,2-3H3,(H,18,20);5-8,12-13,16-17H,9-11H2,1-4H3;5-8,11,16H,3,9-10H2,1-2,4H3;4-8,11,15H,1,9-10H2,2-3H3
• InChIKey: ZQWLVUXZVDCGAT-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 310.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 65
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.81
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate?

The IUPAC name of 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate (CID 165109185) is 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate.

What is the SMILES notation for 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate?

The canonical SMILES for 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCNc1ccc(C(C)C)cc1.C=CC(=O)OCCNC(=O)OCCOc1ccc(C(C)C)cc1.C=CC(=O)OCCNc1ccc(C(C)C)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSC1=CCC=C1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccccc1.CC(C)c1ccc(OCC(OCC2CO2)C(C)C)cc1.

What is the InChIKey of 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate?

The InChIKey is ZQWLVUXZVDCGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClO2S.C21H28O2S.C20H28O2S.C18H25NO5.C17H23NO5.C17H26O3.C15H21NO2.C14H19NO2/c1-15(2)17-5-9-19(10-6-17)23-13-20(24-16(3)4)14-25-21-11-7-18(22)8-12-21;1-16(2)18-10-12-19(13-11-18)22-14-20(23-17(3)4)15-24-21-8-6-5-7-9-21;1-15(2)17-9-11-18(12-10-17)21-13-19(22-16(3)4)14-23-20-7-5-6-8-20;1-13(2)15-5-7-16(8-6-15)22-11-12-24-18(21)19-9-10-23-17(20)14(3)4;1-4-16(19)22-10-9-18-17(20)23-12-11-21-15-7-5-14(6-8-15)13(2)3;1-12(2)14-5-7-15(8-6-14)19-11-17(13(3)4)20-10-16-9-18-16;1-11(2)13-5-7-14(8-6-13)16-9-10-18-15(17)12(3)4;1-4-14(16)17-10-9-15-13-7-5-12(6-8-13)11(2)3/h5-12,15-16,20H,13-14H2,1-4H3;5-13,16-17,20H,14-15H2,1-4H3;5,7-12,15-16,19H,6,13-14H2,1-4H3;5-8,13H,3,9-12H2,1-2,4H3,(H,19,21);4-8,13H,1,9-12H2,2-3H3,(H,18,20);5-8,12-13,16-17H,9-11H2,1-4H3;5-8,11,16H,3,9-10H2,1-2,4H3;4-8,11,15H,1,9-10H2,2-3H3.

What are the key properties of 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate?

1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 2471.81 g/mol, XLogP of 33.36, 65 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 165109185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).