4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol

C39H40O — CID 123751575

IUPAC4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
SMILESCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(C)(C)C)cc5C)cc4C)cc3C)cc2C)ccc1O
InChIInChI=1S/C39H40O/c1-24-19-29(35-15-11-31(21-25(35)2)37-17-13-33(23-27(37)4)39(6,7)8)9-14-34(24)30-10-16-36(26(3)20-30)32-12-18-38(40)28(5)22-32/h9-23,40H,1-8H3
InChIKeyLOUFBLPZCASUBQ-UHFFFAOYSA-N
MW524.75 g/mol
LogP10.90
Rot. Bonds4

About 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol

4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol (PubChem CID 123751575) has the molecular formula C39H40O and a molecular weight of 524.75 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol.

Molecular Properties

Compound Name4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
PubChem CID123751575
Molecular FormulaC39H40O
Molecular Weight524.75 g/mol
Exact Mass524.31
IUPAC Name4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
SMILESCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(C)(C)C)cc5C)cc4C)cc3C)cc2C)ccc1O
InChIInChI=1S/C39H40O/c1-24-19-29(35-15-11-31(21-25(35)2)37-17-13-33(23-27(37)4)39(6,7)8)9-14-34(24)30-10-16-36(26(3)20-30)32-12-18-38(40)28(5)22-32/h9-23,40H,1-8H3
InChIKeyLOUFBLPZCASUBQ-UHFFFAOYSA-N
XLogP10.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 510.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol?
The IUPAC name of 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol (CID 123751575) is 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol.
What is the SMILES notation for 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol?
The canonical SMILES for 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol is Cc1cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(C)(C)C)cc5C)cc4C)cc3C)cc2C)ccc1O.
What is the InChIKey of 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol?
The InChIKey is LOUFBLPZCASUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O/c1-24-19-29(35-15-11-31(21-25(35)2)37-17-13-33(23-27(37)4)39(6,7)8)9-14-34(24)30-10-16-36(26(3)20-30)32-12-18-38(40)28(5)22-32/h9-23,40H,1-8H3.
What are the key properties of 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol?
4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol has a molecular weight of 524.75 g/mol, XLogP of 10.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol is sourced from PubChem (CID 123751575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).