4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol

C26H28O3 — CID 171474669

IUPAC4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol
SMILESCc1cc(C2CC(c3ccc(O)cc3)CC(c3ccc(O)c(C)c3)C2)ccc1O
InChIInChI=1S/C26H28O3/c1-16-11-19(5-9-25(16)28)22-13-21(18-3-7-24(27)8-4-18)14-23(15-22)20-6-10-26(29)17(2)12-20/h3-12,21-23,27-29H,13-15H2,1-2H3
InChIKeyNKPVTXJAMYOQHU-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.26
Rot. Bonds3

About 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol

4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol (PubChem CID 171474669) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol
PubChem CID171474669
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol
SMILESCc1cc(C2CC(c3ccc(O)cc3)CC(c3ccc(O)c(C)c3)C2)ccc1O
InChIInChI=1S/C26H28O3/c1-16-11-19(5-9-25(16)28)22-13-21(18-3-7-24(27)8-4-18)14-23(15-22)20-6-10-26(29)17(2)12-20/h3-12,21-23,27-29H,13-15H2,1-2H3
InChIKeyNKPVTXJAMYOQHU-UHFFFAOYSA-N
XLogP6.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol?
The IUPAC name of 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol (CID 171474669) is 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol.
What is the SMILES notation for 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol?
The canonical SMILES for 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol is Cc1cc(C2CC(c3ccc(O)cc3)CC(c3ccc(O)c(C)c3)C2)ccc1O.
What is the InChIKey of 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol?
The InChIKey is NKPVTXJAMYOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-16-11-19(5-9-25(16)28)22-13-21(18-3-7-24(27)8-4-18)14-23(15-22)20-6-10-26(29)17(2)12-20/h3-12,21-23,27-29H,13-15H2,1-2H3.
What are the key properties of 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol?
4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol has a molecular weight of 388.51 g/mol, XLogP of 6.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol is sourced from PubChem (CID 171474669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).