4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol

C66H90O4 — CID 121241230

IUPAC4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol
SMILESCCC(C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1)C(CC)C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1
InChIInChI=1S/C66H90O4/c1-3-55(49-33-37-65(38-34-49,51-25-29-61(67)57(41-51)45-17-9-5-10-18-45)52-26-30-62(68)58(42-52)46-19-11-6-12-20-46)56(4-2)50-35-39-66(40-36-50,53-27-31-63(69)59(43-53)47-21-13-7-14-22-47)54-28-32-64(70)60(44-54)48-23-15-8-16-24-48/h25-32,41-50,55-56,67-70H,3-24,33-40H2,1-2H3
InChIKeyLDIADMYJNDNWHD-UHFFFAOYSA-N
MW947.44 g/mol
LogP18.41
Rot. Bonds13

About 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol

4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol (PubChem CID 121241230) has the molecular formula C66H90O4 and a molecular weight of 947.44 g/mol. Its IUPAC name is 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol.

Molecular Properties

Compound Name4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol
PubChem CID121241230
Molecular FormulaC66H90O4
Molecular Weight947.44 g/mol
Exact Mass946.68
IUPAC Name4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol
SMILESCCC(C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1)C(CC)C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1
InChIInChI=1S/C66H90O4/c1-3-55(49-33-37-65(38-34-49,51-25-29-61(67)57(41-51)45-17-9-5-10-18-45)52-26-30-62(68)58(42-52)46-19-11-6-12-20-46)56(4-2)50-35-39-66(40-36-50,53-27-31-63(69)59(43-53)47-21-13-7-14-22-47)54-28-32-64(70)60(44-54)48-23-15-8-16-24-48/h25-32,41-50,55-56,67-70H,3-24,33-40H2,1-2H3
InChIKeyLDIADMYJNDNWHD-UHFFFAOYSA-N
XLogP18.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.44
LogP ≤ 518.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol?
The IUPAC name of 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol (CID 121241230) is 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol.
What is the SMILES notation for 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol?
The canonical SMILES for 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol is CCC(C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1)C(CC)C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1.
What is the InChIKey of 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol?
The InChIKey is LDIADMYJNDNWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H90O4/c1-3-55(49-33-37-65(38-34-49,51-25-29-61(67)57(41-51)45-17-9-5-10-18-45)52-26-30-62(68)58(42-52)46-19-11-6-12-20-46)56(4-2)50-35-39-66(40-36-50,53-27-31-63(69)59(43-53)47-21-13-7-14-22-47)54-28-32-64(70)60(44-54)48-23-15-8-16-24-48/h25-32,41-50,55-56,67-70H,3-24,33-40H2,1-2H3.
What are the key properties of 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol?
4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol has a molecular weight of 947.44 g/mol, XLogP of 18.41, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol is sourced from PubChem (CID 121241230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).