2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol

C46H56O4 — CID 175736441

IUPAC2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2ccc(C3(c4ccc(Cc5cc(C)ccc5O)c(O)c4C4CCCCC4)CCCCC3)c(C3CCCCC3)c2O)c1
InChIInChI=1S/C46H56O4/c1-30-16-22-40(47)36(26-30)28-34-18-20-38(42(44(34)49)32-12-6-3-7-13-32)46(24-10-5-11-25-46)39-21-19-35(29-37-27-31(2)17-23-41(37)48)45(50)43(39)33-14-8-4-9-15-33/h16-23,26-27,32-33,47-50H,3-15,24-25,28-29H2,1-2H3
InChIKeyZOVZDOOHXFVRGW-UHFFFAOYSA-N
MW672.95 g/mol
LogP11.65
Rot. Bonds8

About 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol

2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol (PubChem CID 175736441) has the molecular formula C46H56O4 and a molecular weight of 672.95 g/mol. Its IUPAC name is 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
PubChem CID175736441
Molecular FormulaC46H56O4
Molecular Weight672.95 g/mol
Exact Mass672.42
IUPAC Name2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2ccc(C3(c4ccc(Cc5cc(C)ccc5O)c(O)c4C4CCCCC4)CCCCC3)c(C3CCCCC3)c2O)c1
InChIInChI=1S/C46H56O4/c1-30-16-22-40(47)36(26-30)28-34-18-20-38(42(44(34)49)32-12-6-3-7-13-32)46(24-10-5-11-25-46)39-21-19-35(29-37-27-31(2)17-23-41(37)48)45(50)43(39)33-14-8-4-9-15-33/h16-23,26-27,32-33,47-50H,3-15,24-25,28-29H2,1-2H3
InChIKeyZOVZDOOHXFVRGW-UHFFFAOYSA-N
XLogP11.65
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.95
LogP ≤ 511.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
The IUPAC name of 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol (CID 175736441) is 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
The canonical SMILES for 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol is Cc1ccc(O)c(Cc2ccc(C3(c4ccc(Cc5cc(C)ccc5O)c(O)c4C4CCCCC4)CCCCC3)c(C3CCCCC3)c2O)c1.
What is the InChIKey of 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
The InChIKey is ZOVZDOOHXFVRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56O4/c1-30-16-22-40(47)36(26-30)28-34-18-20-38(42(44(34)49)32-12-6-3-7-13-32)46(24-10-5-11-25-46)39-21-19-35(29-37-27-31(2)17-23-41(37)48)45(50)43(39)33-14-8-4-9-15-33/h16-23,26-27,32-33,47-50H,3-15,24-25,28-29H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol?
2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol has a molecular weight of 672.95 g/mol, XLogP of 11.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol is sourced from PubChem (CID 175736441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).