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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Related Compounds

2-hydroxy-4-methyl-3,5-bis(1-phenylethyl)benzenesulfonic acid
CID 19033629
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
CID 23045364
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
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
1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
CID 18968375
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584

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).