6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol

C41H48O2 — CID 101304108

IUPAC6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1ccc(C2CCCCC2)c(O)c1Cc1c(C(C)c2ccccc2)ccc(C2CCCCC2)c1O
InChIInChI=1S/C41H48O2/c1-28(30-15-7-3-8-16-30)34-23-25-36(32-19-11-5-12-20-32)40(42)38(34)27-39-35(29(2)31-17-9-4-10-18-31)24-26-37(41(39)43)33-21-13-6-14-22-33/h3-4,7-10,15-18,23-26,28-29,32-33,42-43H,5-6,11-14,19-22,27H2,1-2H3
InChIKeyUOZUZXSMZFIBGG-UHFFFAOYSA-N
MW572.83 g/mol
LogP11.09
Rot. Bonds8

About 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol

6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol (PubChem CID 101304108) has the molecular formula C41H48O2 and a molecular weight of 572.83 g/mol. Its IUPAC name is 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol.

Molecular Properties

Compound Name6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol
PubChem CID101304108
Molecular FormulaC41H48O2
Molecular Weight572.83 g/mol
Exact Mass572.37
IUPAC Name6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1ccc(C2CCCCC2)c(O)c1Cc1c(C(C)c2ccccc2)ccc(C2CCCCC2)c1O
InChIInChI=1S/C41H48O2/c1-28(30-15-7-3-8-16-30)34-23-25-36(32-19-11-5-12-20-32)40(42)38(34)27-39-35(29(2)31-17-9-4-10-18-31)24-26-37(41(39)43)33-21-13-6-14-22-33/h3-4,7-10,15-18,23-26,28-29,32-33,42-43H,5-6,11-14,19-22,27H2,1-2H3
InChIKeyUOZUZXSMZFIBGG-UHFFFAOYSA-N
XLogP11.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.83
LogP ≤ 511.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol with MolForge

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Related Compounds

4-cyclohexyl-3-(1-phenylethyl)phenol
CID 101304185
2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol
CID 66514859
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol
CID 101304078
2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
CID 15139972
3,6-dicyclopentyl-2-[(2,5-dicyclopentyl-6-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 6453119
2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol
CID 23325923
2,6-di(cyclobutyl)phenol
CID 57426118
4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 6453118
2,6-dicyclohexyl-3-methylphenol
CID 3022567
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol?
The IUPAC name of 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol (CID 101304108) is 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol.
What is the SMILES notation for 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol?
The canonical SMILES for 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol is CC(c1ccccc1)c1ccc(C2CCCCC2)c(O)c1Cc1c(C(C)c2ccccc2)ccc(C2CCCCC2)c1O.
What is the InChIKey of 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol?
The InChIKey is UOZUZXSMZFIBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48O2/c1-28(30-15-7-3-8-16-30)34-23-25-36(32-19-11-5-12-20-32)40(42)38(34)27-39-35(29(2)31-17-9-4-10-18-31)24-26-37(41(39)43)33-21-13-6-14-22-33/h3-4,7-10,15-18,23-26,28-29,32-33,42-43H,5-6,11-14,19-22,27H2,1-2H3.
What are the key properties of 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol?
6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol has a molecular weight of 572.83 g/mol, XLogP of 11.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol is sourced from PubChem (CID 101304108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).