4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol

C41H36O2 — CID 66780854

IUPAC4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol
SMILESCc1ccccc1-c1cc(Cc2cc(-c3ccccc3C)c(O)c(-c3ccccc3C)c2)cc(-c2ccccc2C)c1O
InChIInChI=1S/C41H36O2/c1-26-13-5-9-17-32(26)36-22-30(23-37(40(36)42)33-18-10-6-14-27(33)2)21-31-24-38(34-19-11-7-15-28(34)3)41(43)39(25-31)35-20-12-8-16-29(35)4/h5-20,22-25,42-43H,21H2,1-4H3
InChIKeyBAHQMXZOUFHTFP-UHFFFAOYSA-N
MW560.74 g/mol
LogP10.59
Rot. Bonds6

About 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol

4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol (PubChem CID 66780854) has the molecular formula C41H36O2 and a molecular weight of 560.74 g/mol. Its IUPAC name is 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol
PubChem CID66780854
Molecular FormulaC41H36O2
Molecular Weight560.74 g/mol
Exact Mass560.27
IUPAC Name4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol
SMILESCc1ccccc1-c1cc(Cc2cc(-c3ccccc3C)c(O)c(-c3ccccc3C)c2)cc(-c2ccccc2C)c1O
InChIInChI=1S/C41H36O2/c1-26-13-5-9-17-32(26)36-22-30(23-37(40(36)42)33-18-10-6-14-27(33)2)21-31-24-38(34-19-11-7-15-28(34)3)41(43)39(25-31)35-20-12-8-16-29(35)4/h5-20,22-25,42-43H,21H2,1-4H3
InChIKeyBAHQMXZOUFHTFP-UHFFFAOYSA-N
XLogP10.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 510.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol?
The IUPAC name of 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol (CID 66780854) is 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol.
What is the SMILES notation for 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol?
The canonical SMILES for 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol is Cc1ccccc1-c1cc(Cc2cc(-c3ccccc3C)c(O)c(-c3ccccc3C)c2)cc(-c2ccccc2C)c1O.
What is the InChIKey of 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol?
The InChIKey is BAHQMXZOUFHTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36O2/c1-26-13-5-9-17-32(26)36-22-30(23-37(40(36)42)33-18-10-6-14-27(33)2)21-31-24-38(34-19-11-7-15-28(34)3)41(43)39(25-31)35-20-12-8-16-29(35)4/h5-20,22-25,42-43H,21H2,1-4H3.
What are the key properties of 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol?
4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol has a molecular weight of 560.74 g/mol, XLogP of 10.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3,5-bis(2-methylphenyl)phenyl]methyl]-2,6-bis(2-methylphenyl)phenol is sourced from PubChem (CID 66780854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).