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

C22H22O2 — CID 21020641

IUPAC4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cccc(-c3cc(C)c(O)c(C)c3)c2)cc(C)c1O
InChIInChI=1S/C22H22O2/c1-13-8-19(9-14(2)21(13)23)17-6-5-7-18(12-17)20-10-15(3)22(24)16(4)11-20/h5-12,23-24H,1-4H3
InChIKeyUZYUCBJOYVVNJF-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.67
Rot. Bonds2

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

4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol (PubChem CID 21020641) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
PubChem CID21020641
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cccc(-c3cc(C)c(O)c(C)c3)c2)cc(C)c1O
InChIInChI=1S/C22H22O2/c1-13-8-19(9-14(2)21(13)23)17-6-5-7-18(12-17)20-10-15(3)22(24)16(4)11-20/h5-12,23-24H,1-4H3
InChIKeyUZYUCBJOYVVNJF-UHFFFAOYSA-N
XLogP5.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol (CID 21020641) is 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol is Cc1cc(-c2cccc(-c3cc(C)c(O)c(C)c3)c2)cc(C)c1O.
What is the InChIKey of 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol?
The InChIKey is UZYUCBJOYVVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-13-8-19(9-14(2)21(13)23)17-6-5-7-18(12-17)20-10-15(3)22(24)16(4)11-20/h5-12,23-24H,1-4H3.
What are the key properties of 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol?
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol has a molecular weight of 318.42 g/mol, XLogP of 5.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol is sourced from PubChem (CID 21020641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).