2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C140H164O6 — CID 160553254

IUPAC2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)c1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.CC(c1ccccc1)c1cc(C(C)(C)CC(C)(C)C)ccc1O.CCC(C)c1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.CCC(c1ccccc1)c1cc(C)cc(C(CC)c2ccccc2)c1O.Cc1c(C(C)C)cc(C(C)c2ccccc2)c(O)c1C(C)c1ccccc1.Cc1cc(C)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/2C26H30O.2C25H28O.C22H30O.C16H18O/c1-17(2)23-16-24(18(3)21-12-8-6-9-13-21)26(27)25(20(23)5)19(4)22-14-10-7-11-15-22;1-5-18(2)23-16-24(19(3)21-12-8-6-9-13-21)26(27)25(17-23)20(4)22-14-10-7-11-15-22;1-17(2)22-15-23(18(3)20-11-7-5-8-12-20)25(26)24(16-22)19(4)21-13-9-6-10-14-21;1-4-21(19-12-8-6-9-13-19)23-16-18(3)17-24(25(23)26)22(5-2)20-14-10-7-11-15-20;1-16(17-10-8-7-9-11-17)19-14-18(12-13-20(19)23)22(5,6)15-21(2,3)4;1-11-9-12(2)16(17)15(10-11)13(3)14-7-5-4-6-8-14/h6-19,27H,1-5H3;6-20,27H,5H2,1-4H3;5-19,26H,1-4H3;6-17,21-22,26H,4-5H2,1-3H3;7-14,16,23H,15H2,1-6H3;4-10,13,17H,1-3H3
InChIKeyQYISVJNAOVUGTD-UHFFFAOYSA-N
MW1942.85 g/mol
LogP38.36
Rot. Bonds28

About 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 160553254) has the molecular formula C140H164O6 and a molecular weight of 1942.85 g/mol. Its IUPAC name is 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID160553254
Molecular FormulaC140H164O6
Molecular Weight1942.85 g/mol
Exact Mass1941.25
IUPAC Name2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)c1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.CC(c1ccccc1)c1cc(C(C)(C)CC(C)(C)C)ccc1O.CCC(C)c1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.CCC(c1ccccc1)c1cc(C)cc(C(CC)c2ccccc2)c1O.Cc1c(C(C)C)cc(C(C)c2ccccc2)c(O)c1C(C)c1ccccc1.Cc1cc(C)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/2C26H30O.2C25H28O.C22H30O.C16H18O/c1-17(2)23-16-24(18(3)21-12-8-6-9-13-21)26(27)25(20(23)5)19(4)22-14-10-7-11-15-22;1-5-18(2)23-16-24(19(3)21-12-8-6-9-13-21)26(27)25(17-23)20(4)22-14-10-7-11-15-22;1-17(2)22-15-23(18(3)20-11-7-5-8-12-20)25(26)24(16-22)19(4)21-13-9-6-10-14-21;1-4-21(19-12-8-6-9-13-19)23-16-18(3)17-24(25(23)26)22(5-2)20-14-10-7-11-15-20;1-16(17-10-8-7-9-11-17)19-14-18(12-13-20(19)23)22(5,6)15-21(2,3)4;1-11-9-12(2)16(17)15(10-11)13(3)14-7-5-4-6-8-14/h6-19,27H,1-5H3;6-20,27H,5H2,1-4H3;5-19,26H,1-4H3;6-17,21-22,26H,4-5H2,1-3H3;7-14,16,23H,15H2,1-6H3;4-10,13,17H,1-3H3
InChIKeyQYISVJNAOVUGTD-UHFFFAOYSA-N
XLogP38.36
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.85
LogP ≤ 538.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 160553254) is 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)c1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.CC(c1ccccc1)c1cc(C(C)(C)CC(C)(C)C)ccc1O.CCC(C)c1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.CCC(c1ccccc1)c1cc(C)cc(C(CC)c2ccccc2)c1O.Cc1c(C(C)C)cc(C(C)c2ccccc2)c(O)c1C(C)c1ccccc1.Cc1cc(C)c(O)c(C(C)c2ccccc2)c1.
What is the InChIKey of 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is QYISVJNAOVUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30O.2C25H28O.C22H30O.C16H18O/c1-17(2)23-16-24(18(3)21-12-8-6-9-13-21)26(27)25(20(23)5)19(4)22-14-10-7-11-15-22;1-5-18(2)23-16-24(19(3)21-12-8-6-9-13-21)26(27)25(17-23)20(4)22-14-10-7-11-15-22;1-17(2)22-15-23(18(3)20-11-7-5-8-12-20)25(26)24(16-22)19(4)21-13-9-6-10-14-21;1-4-21(19-12-8-6-9-13-19)23-16-18(3)17-24(25(23)26)22(5-2)20-14-10-7-11-15-20;1-16(17-10-8-7-9-11-17)19-14-18(12-13-20(19)23)22(5,6)15-21(2,3)4;1-11-9-12(2)16(17)15(10-11)13(3)14-7-5-4-6-8-14/h6-19,27H,1-5H3;6-20,27H,5H2,1-4H3;5-19,26H,1-4H3;6-17,21-22,26H,4-5H2,1-3H3;7-14,16,23H,15H2,1-6H3;4-10,13,17H,1-3H3.
What are the key properties of 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 1942.85 g/mol, XLogP of 38.36, 28 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-butan-2-yl-2,6-bis(1-phenylethyl)phenol;2,4-dimethyl-6-(1-phenylethyl)phenol;3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol;4-methyl-2,6-bis(1-phenylpropyl)phenol;2-(1-phenylethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 160553254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).