3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol

C26H30O — CID 90085264

IUPAC3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol
SMILESCc1c(C(C)C)cc(C(C)c2ccccc2)c(O)c1C(C)c1ccccc1
InChIInChI=1S/C26H30O/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/h6-19,27H,1-5H3
InChIKeyJJVMEQZJHWGUGY-UHFFFAOYSA-N
MW358.52 g/mol
LogP7.13
Rot. Bonds5

About 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol

3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol (PubChem CID 90085264) has the molecular formula C26H30O and a molecular weight of 358.52 g/mol. Its IUPAC name is 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol
PubChem CID90085264
Molecular FormulaC26H30O
Molecular Weight358.52 g/mol
Exact Mass358.23
IUPAC Name3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol
SMILESCc1c(C(C)C)cc(C(C)c2ccccc2)c(O)c1C(C)c1ccccc1
InChIInChI=1S/C26H30O/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/h6-19,27H,1-5H3
InChIKeyJJVMEQZJHWGUGY-UHFFFAOYSA-N
XLogP7.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol?
The IUPAC name of 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol (CID 90085264) is 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol.
What is the SMILES notation for 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol?
The canonical SMILES for 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol is Cc1c(C(C)C)cc(C(C)c2ccccc2)c(O)c1C(C)c1ccccc1.
What is the InChIKey of 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol?
The InChIKey is JJVMEQZJHWGUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/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/h6-19,27H,1-5H3.
What are the key properties of 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol?
3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol has a molecular weight of 358.52 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol is sourced from PubChem (CID 90085264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).