4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol

C69H78O6 — CID 59283725

IUPAC4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC(C)(c1cc(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)c1)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1
InChIInChI=1S/C69H78O6/c1-64(2,46-31-37-67(38-32-46,49-7-19-58(70)20-8-49)50-9-21-59(71)22-10-50)55-43-56(65(3,4)47-33-39-68(40-34-47,51-11-23-60(72)24-12-51)52-13-25-61(73)26-14-52)45-57(44-55)66(5,6)48-35-41-69(42-36-48,53-15-27-62(74)28-16-53)54-17-29-63(75)30-18-54/h7-30,43-48,70-75H,31-42H2,1-6H3
InChIKeyKDABPKAUSDFSLV-UHFFFAOYSA-N
MW1003.38 g/mol
LogP16.28
Rot. Bonds12

About 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol

4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 59283725) has the molecular formula C69H78O6 and a molecular weight of 1003.38 g/mol. Its IUPAC name is 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID59283725
Molecular FormulaC69H78O6
Molecular Weight1003.38 g/mol
Exact Mass1002.58
IUPAC Name4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC(C)(c1cc(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)c1)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1
InChIInChI=1S/C69H78O6/c1-64(2,46-31-37-67(38-32-46,49-7-19-58(70)20-8-49)50-9-21-59(71)22-10-50)55-43-56(65(3,4)47-33-39-68(40-34-47,51-11-23-60(72)24-12-51)52-13-25-61(73)26-14-52)45-57(44-55)66(5,6)48-35-41-69(42-36-48,53-15-27-62(74)28-16-53)54-17-29-63(75)30-18-54/h7-30,43-48,70-75H,31-42H2,1-6H3
InChIKeyKDABPKAUSDFSLV-UHFFFAOYSA-N
XLogP16.28
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.38
LogP ≤ 516.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol (CID 59283725) is 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol is CC(C)(c1cc(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)c1)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is KDABPKAUSDFSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H78O6/c1-64(2,46-31-37-67(38-32-46,49-7-19-58(70)20-8-49)50-9-21-59(71)22-10-50)55-43-56(65(3,4)47-33-39-68(40-34-47,51-11-23-60(72)24-12-51)52-13-25-61(73)26-14-52)45-57(44-55)66(5,6)48-35-41-69(42-36-48,53-15-27-62(74)28-16-53)54-17-29-63(75)30-18-54/h7-30,43-48,70-75H,31-42H2,1-6H3.
What are the key properties of 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 1003.38 g/mol, XLogP of 16.28, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 59283725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).