4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

C59H72O6 — CID 159439965

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCCCC2)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)CCCCC2)ccc1O
InChIInChI=1S/C22H28O2.C20H24O2.C17H20O2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19;1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17;1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h10-13,23-24H,5-9H2,1-4H3;6-9,12-13,21-22H,3-5,10-11H2,1-2H3;5-10,18-19H,1-4H3
InChIKeyLSAUYSWQAMQOGV-UHFFFAOYSA-N
MW877.22 g/mol
LogP14.59
Rot. Bonds6

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (PubChem CID 159439965) has the molecular formula C59H72O6 and a molecular weight of 877.22 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
PubChem CID159439965
Molecular FormulaC59H72O6
Molecular Weight877.22 g/mol
Exact Mass876.53
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCCCC2)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)CCCCC2)ccc1O
InChIInChI=1S/C22H28O2.C20H24O2.C17H20O2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19;1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17;1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h10-13,23-24H,5-9H2,1-4H3;6-9,12-13,21-22H,3-5,10-11H2,1-2H3;5-10,18-19H,1-4H3
InChIKeyLSAUYSWQAMQOGV-UHFFFAOYSA-N
XLogP14.59
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.22
LogP ≤ 514.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (CID 159439965) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCCCC2)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)CCCCC2)ccc1O.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The InChIKey is LSAUYSWQAMQOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2.C20H24O2.C17H20O2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19;1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17;1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h10-13,23-24H,5-9H2,1-4H3;6-9,12-13,21-22H,3-5,10-11H2,1-2H3;5-10,18-19H,1-4H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol has a molecular weight of 877.22 g/mol, XLogP of 14.59, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is sourced from PubChem (CID 159439965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).