4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol

C50H54O4 — CID 66837099

IUPAC4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)C2CC3CC2CC3c2ccc(C3CC4CC3CC4C(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)cc2)ccc1O
InChIInChI=1S/C50H54O4/c1-27-17-33(9-13-45(27)51)49(34-10-14-46(52)28(2)18-34)43-25-37-21-39(43)23-41(37)31-5-7-32(8-6-31)42-24-40-22-38(42)26-44(40)50(35-11-15-47(53)29(3)19-35)36-12-16-48(54)30(4)20-36/h5-20,37-44,49-54H,21-26H2,1-4H3
InChIKeyVOBGSLSWUPFUND-UHFFFAOYSA-N
MW718.98 g/mol
LogP11.67
Rot. Bonds8

About 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol

4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol (PubChem CID 66837099) has the molecular formula C50H54O4 and a molecular weight of 718.98 g/mol. Its IUPAC name is 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol.

Molecular Properties

Compound Name4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
PubChem CID66837099
Molecular FormulaC50H54O4
Molecular Weight718.98 g/mol
Exact Mass718.40
IUPAC Name4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)C2CC3CC2CC3c2ccc(C3CC4CC3CC4C(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)cc2)ccc1O
InChIInChI=1S/C50H54O4/c1-27-17-33(9-13-45(27)51)49(34-10-14-46(52)28(2)18-34)43-25-37-21-39(43)23-41(37)31-5-7-32(8-6-31)42-24-40-22-38(42)26-44(40)50(35-11-15-47(53)29(3)19-35)36-12-16-48(54)30(4)20-36/h5-20,37-44,49-54H,21-26H2,1-4H3
InChIKeyVOBGSLSWUPFUND-UHFFFAOYSA-N
XLogP11.67
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.98
LogP ≤ 511.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
The IUPAC name of 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol (CID 66837099) is 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol.
What is the SMILES notation for 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
The canonical SMILES for 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol is Cc1cc(C(c2ccc(O)c(C)c2)C2CC3CC2CC3c2ccc(C3CC4CC3CC4C(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)cc2)ccc1O.
What is the InChIKey of 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
The InChIKey is VOBGSLSWUPFUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54O4/c1-27-17-33(9-13-45(27)51)49(34-10-14-46(52)28(2)18-34)43-25-37-21-39(43)23-41(37)31-5-7-32(8-6-31)42-24-40-22-38(42)26-44(40)50(35-11-15-47(53)29(3)19-35)36-12-16-48(54)30(4)20-36/h5-20,37-44,49-54H,21-26H2,1-4H3.
What are the key properties of 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol has a molecular weight of 718.98 g/mol, XLogP of 11.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol is sourced from PubChem (CID 66837099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).