2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol

C30H42O2 — CID 139825069

IUPAC2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol
SMILESCCCCC(C)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C30H42O2/c1-3-4-19-30(2,24-15-17-28(31)26(20-24)22-11-7-5-8-12-22)25-16-18-29(32)27(21-25)23-13-9-6-10-14-23/h15-18,20-23,31-32H,3-14,19H2,1-2H3
InChIKeyLIZGGODYNAEEAN-UHFFFAOYSA-N
MW434.66 g/mol
LogP8.69
Rot. Bonds7

About 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol

2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol (PubChem CID 139825069) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol
PubChem CID139825069
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol
SMILESCCCCC(C)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C30H42O2/c1-3-4-19-30(2,24-15-17-28(31)26(20-24)22-11-7-5-8-12-22)25-16-18-29(32)27(21-25)23-13-9-6-10-14-23/h15-18,20-23,31-32H,3-14,19H2,1-2H3
InChIKeyLIZGGODYNAEEAN-UHFFFAOYSA-N
XLogP8.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol?
The IUPAC name of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol (CID 139825069) is 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol.
What is the SMILES notation for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol?
The canonical SMILES for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol is CCCCC(C)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol?
The InChIKey is LIZGGODYNAEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2/c1-3-4-19-30(2,24-15-17-28(31)26(20-24)22-11-7-5-8-12-22)25-16-18-29(32)27(21-25)23-13-9-6-10-14-23/h15-18,20-23,31-32H,3-14,19H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol?
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol has a molecular weight of 434.66 g/mol, XLogP of 8.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol is sourced from PubChem (CID 139825069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).