1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene

C68H80Cl3NO3 — CID 161248240

About 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene

1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene (PubChem CID 161248240) has the molecular formula C68H80Cl3NO3 and a molecular weight of 1065.75 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene.

Molecular Properties

• Compound Name: 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene
• PubChem CID: 161248240
• Molecular Formula: C68H80Cl3NO3
• Molecular Weight: 1065.75 g/mol
• Exact Mass: 1063.52
• IUPAC Name: 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene
• SMILES: CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c3c(cccc13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccccc1
• InChI: InChI=1S/C15H16O.C14H15NO.C12H16O.C9H10Cl2.C9H11Cl.C9H12/c1-10(2)12-6-7-14-15-11(8-9-16-14)4-3-5-13(12)15;1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9/h3-7,10H,8-9H2,1-2H3;3-5,7,9H,6,8H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-8H,1-2H3
• InChIKey: VAXPPZUNSRBHPK-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 40.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.75
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?

The IUPAC name of 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene (CID 161248240) is 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene.

What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?

The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene is CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c3c(cccc13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccccc1.

What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?

The InChIKey is VAXPPZUNSRBHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C14H15NO.C12H16O.C9H10Cl2.C9H11Cl.C9H12/c1-10(2)12-6-7-14-15-11(8-9-16-14)4-3-5-13(12)15;1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9/h3-7,10H,8-9H2,1-2H3;3-5,7,9H,6,8H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-8H,1-2H3.

What are the key properties of 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?

1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene has a molecular weight of 1065.75 g/mol, XLogP of 20.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene is sourced from PubChem (CID 161248240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).