4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol

C24H26O2 — CID 22492711

IUPAC4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2ccc(Cc3cc(C)c(O)c(C)c3)cc2)cc(C)c1O
InChIInChI=1S/C24H26O2/c1-15-9-21(10-16(2)23(15)25)13-19-5-7-20(8-6-19)14-22-11-17(3)24(26)18(4)12-22/h5-12,25-26H,13-14H2,1-4H3
InChIKeyRPWUJNUSSDPLDJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.51
Rot. Bonds4

About 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol

4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol (PubChem CID 22492711) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
PubChem CID22492711
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2ccc(Cc3cc(C)c(O)c(C)c3)cc2)cc(C)c1O
InChIInChI=1S/C24H26O2/c1-15-9-21(10-16(2)23(15)25)13-19-5-7-20(8-6-19)14-22-11-17(3)24(26)18(4)12-22/h5-12,25-26H,13-14H2,1-4H3
InChIKeyRPWUJNUSSDPLDJ-UHFFFAOYSA-N
XLogP5.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol (CID 22492711) is 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol is Cc1cc(Cc2ccc(Cc3cc(C)c(O)c(C)c3)cc2)cc(C)c1O.
What is the InChIKey of 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
The InChIKey is RPWUJNUSSDPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-15-9-21(10-16(2)23(15)25)13-19-5-7-20(8-6-19)14-22-11-17(3)24(26)18(4)12-22/h5-12,25-26H,13-14H2,1-4H3.
What are the key properties of 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol has a molecular weight of 346.47 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 22492711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).