2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol

C26H32O — CID 139965330

IUPAC2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol
SMILESCC1=C(C)C(c2ccc(C)cc2-c2cccc(C(C)(C)C)c2O)C(C)=C1C
InChIInChI=1S/C26H32O/c1-15-12-13-20(24-18(4)16(2)17(3)19(24)5)22(14-15)21-10-9-11-23(25(21)27)26(6,7)8/h9-14,24,27H,1-8H3
InChIKeyKUMFRVPDMIQWPS-UHFFFAOYSA-N
MW360.54 g/mol
LogP7.44
Rot. Bonds2

About 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol

2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol (PubChem CID 139965330) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol
PubChem CID139965330
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Name2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol
SMILESCC1=C(C)C(c2ccc(C)cc2-c2cccc(C(C)(C)C)c2O)C(C)=C1C
InChIInChI=1S/C26H32O/c1-15-12-13-20(24-18(4)16(2)17(3)19(24)5)22(14-15)21-10-9-11-23(25(21)27)26(6,7)8/h9-14,24,27H,1-8H3
InChIKeyKUMFRVPDMIQWPS-UHFFFAOYSA-N
XLogP7.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
The IUPAC name of 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol (CID 139965330) is 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol is CC1=C(C)C(c2ccc(C)cc2-c2cccc(C(C)(C)C)c2O)C(C)=C1C.
What is the InChIKey of 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
The InChIKey is KUMFRVPDMIQWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O/c1-15-12-13-20(24-18(4)16(2)17(3)19(24)5)22(14-15)21-10-9-11-23(25(21)27)26(6,7)8/h9-14,24,27H,1-8H3.
What are the key properties of 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol has a molecular weight of 360.54 g/mol, XLogP of 7.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol is sourced from PubChem (CID 139965330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).