4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol

C28H26O3 — CID 22925884

IUPAC4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(OC(c2ccc(C)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H26O3/c1-19-3-7-21(8-4-19)27(23-11-15-25(29)16-12-23)31-28(22-9-5-20(2)6-10-22)24-13-17-26(30)18-14-24/h3-18,27-30H,1-2H3
InChIKeySTOXSWGXNMFOLC-UHFFFAOYSA-N
MW410.51 g/mol
LogP6.61
Rot. Bonds6

About 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol

4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol (PubChem CID 22925884) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol
PubChem CID22925884
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(OC(c2ccc(C)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H26O3/c1-19-3-7-21(8-4-19)27(23-11-15-25(29)16-12-23)31-28(22-9-5-20(2)6-10-22)24-13-17-26(30)18-14-24/h3-18,27-30H,1-2H3
InChIKeySTOXSWGXNMFOLC-UHFFFAOYSA-N
XLogP6.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylphenol
CID 70549076
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
4-methylphenol;2-methylpropane
CID 91606636
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol
CID 22925946
[4-[[(4-acetyloxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenyl] acetate
CID 22925936
chromium;bis(4-methylphenol);chloride
CID 172752271
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-methylphenol;propan-2-ylphosphane
CID 144779899
ethane;4-(4-methylphenyl)phenol
CID 161379556
boric acid;4-methylphenol
CID 67912006

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol?
The IUPAC name of 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol (CID 22925884) is 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol?
The canonical SMILES for 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol is Cc1ccc(C(OC(c2ccc(C)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol?
The InChIKey is STOXSWGXNMFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O3/c1-19-3-7-21(8-4-19)27(23-11-15-25(29)16-12-23)31-28(22-9-5-20(2)6-10-22)24-13-17-26(30)18-14-24/h3-18,27-30H,1-2H3.
What are the key properties of 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol?
4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol has a molecular weight of 410.51 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 22925884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).