4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol

C50H60O4 — CID 165388703

IUPAC4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol
SMILESOc1ccc(C2CCCCC2)cc1C(=C(c1cc(C2CCCCC2)ccc1O)c1cc(C2CCCCC2)ccc1O)c1cc(C2CCCCC2)ccc1O
InChIInChI=1S/C50H60O4/c51-45-25-21-37(33-13-5-1-6-14-33)29-41(45)49(42-30-38(22-26-46(42)52)34-15-7-2-8-16-34)50(43-31-39(23-27-47(43)53)35-17-9-3-10-18-35)44-32-40(24-28-48(44)54)36-19-11-4-12-20-36/h21-36,51-54H,1-20H2
InChIKeyMXOMTMYQWJTGGH-UHFFFAOYSA-N
MW725.03 g/mol
LogP13.71
Rot. Bonds8

About 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol

4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol (PubChem CID 165388703) has the molecular formula C50H60O4 and a molecular weight of 725.03 g/mol. Its IUPAC name is 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol
PubChem CID165388703
Molecular FormulaC50H60O4
Molecular Weight725.03 g/mol
Exact Mass724.45
IUPAC Name4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol
SMILESOc1ccc(C2CCCCC2)cc1C(=C(c1cc(C2CCCCC2)ccc1O)c1cc(C2CCCCC2)ccc1O)c1cc(C2CCCCC2)ccc1O
InChIInChI=1S/C50H60O4/c51-45-25-21-37(33-13-5-1-6-14-33)29-41(45)49(42-30-38(22-26-46(42)52)34-15-7-2-8-16-34)50(43-31-39(23-27-47(43)53)35-17-9-3-10-18-35)44-32-40(24-28-48(44)54)36-19-11-4-12-20-36/h21-36,51-54H,1-20H2
InChIKeyMXOMTMYQWJTGGH-UHFFFAOYSA-N
XLogP13.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.03
LogP ≤ 513.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol?
The IUPAC name of 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol (CID 165388703) is 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol.
What is the SMILES notation for 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol?
The canonical SMILES for 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol is Oc1ccc(C2CCCCC2)cc1C(=C(c1cc(C2CCCCC2)ccc1O)c1cc(C2CCCCC2)ccc1O)c1cc(C2CCCCC2)ccc1O.
What is the InChIKey of 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol?
The InChIKey is MXOMTMYQWJTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60O4/c51-45-25-21-37(33-13-5-1-6-14-33)29-41(45)49(42-30-38(22-26-46(42)52)34-15-7-2-8-16-34)50(43-31-39(23-27-47(43)53)35-17-9-3-10-18-35)44-32-40(24-28-48(44)54)36-19-11-4-12-20-36/h21-36,51-54H,1-20H2.
What are the key properties of 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol?
4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol has a molecular weight of 725.03 g/mol, XLogP of 13.71, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol is sourced from PubChem (CID 165388703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).