1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane

C196H288O16 — CID 160566205

About 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane

1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane (PubChem CID 160566205) has the molecular formula C196H288O16 and a molecular weight of 2900.44 g/mol. Its IUPAC name is 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane.

Molecular Properties

• Compound Name: 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane
• PubChem CID: 160566205
• Molecular Formula: C196H288O16
• Molecular Weight: 2900.44 g/mol
• Exact Mass: 2898.17
• IUPAC Name: 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane
• SMILES: C.C1CC2C3CCC(C3)C2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1ccc(-c2ccc(CC)cc2)cc1.CCc1ccc(CC)cc1.Cc1ccccc1O.Cc1ccccc1O.Cc1ccccc1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.c1ccc2ccccc2c1
• InChI: InChI=1S/C16H18.3C15H16O2.C10H16.C10H8.C10H14.3C7H8O.7C6H6O.C4H10.7C3H8.8C2H6.CH4/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-3-9-5-7-10(4-2)8-6-9;3*1-6-4-2-3-5-7(6)8;7*7-6-4-2-1-3-5-6;1-4(2)3;7*1-3-2;8*1-2;/h5-12H,3-4H2,1-2H3;3*3-10,16-17H,1-2H3;7-10H,1-6H2;1-8H;5-8H,3-4H2,1-2H3;3*2-5,8H,1H3;7*1-5,7H;4H,1-3H3;7*3H2,1-2H3;8*1-2H3;1H4
• InChIKey: QZYMECOYJMWMQX-UHFFFAOYSA-N
• XLogP: 58.50
• TPSA: 323.68 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2900.44
LogP ≤ 5	58.50
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane?

The IUPAC name of 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane (CID 160566205) is 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane.

What is the SMILES notation for 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane?

The canonical SMILES for 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane is C.C1CC2C3CCC(C3)C2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1ccc(-c2ccc(CC)cc2)cc1.CCc1ccc(CC)cc1.Cc1ccccc1O.Cc1ccccc1O.Cc1ccccc1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.c1ccc2ccccc2c1.

What is the InChIKey of 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane?

The InChIKey is QZYMECOYJMWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.3C15H16O2.C10H16.C10H8.C10H14.3C7H8O.7C6H6O.C4H10.7C3H8.8C2H6.CH4/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-3-9-5-7-10(4-2)8-6-9;3*1-6-4-2-3-5-7(6)8;7*7-6-4-2-1-3-5-6;1-4(2)3;7*1-3-2;8*1-2;/h5-12H,3-4H2,1-2H3;3*3-10,16-17H,1-2H3;7-10H,1-6H2;1-8H;5-8H,3-4H2,1-2H3;3*2-5,8H,1H3;7*1-5,7H;4H,1-3H3;7*3H2,1-2H3;8*1-2H3;1H4.

What are the key properties of 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane?

1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane has a molecular weight of 2900.44 g/mol, XLogP of 58.50, 11 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 160566205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).