2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol

C28H38O2 — CID 23127930

IUPAC2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(CCCCc2ccc(O)c(C3CCCCC3)c2)cc1C1CCCCC1
InChIInChI=1S/C28H38O2/c29-27-17-15-21(19-25(27)23-11-3-1-4-12-23)9-7-8-10-22-16-18-28(30)26(20-22)24-13-5-2-6-14-24/h15-20,23-24,29-30H,1-14H2
InChIKeyCRQJAOMWZNKUIE-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.76
Rot. Bonds7

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

2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol (PubChem CID 23127930) has the molecular formula C28H38O2 and a molecular weight of 406.61 g/mol. Its IUPAC name is 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol
PubChem CID23127930
Molecular FormulaC28H38O2
Molecular Weight406.61 g/mol
Exact Mass406.29
IUPAC Name2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(CCCCc2ccc(O)c(C3CCCCC3)c2)cc1C1CCCCC1
InChIInChI=1S/C28H38O2/c29-27-17-15-21(19-25(27)23-11-3-1-4-12-23)9-7-8-10-22-16-18-28(30)26(20-22)24-13-5-2-6-14-24/h15-20,23-24,29-30H,1-14H2
InChIKeyCRQJAOMWZNKUIE-UHFFFAOYSA-N
XLogP7.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol?
The IUPAC name of 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol (CID 23127930) is 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol is Oc1ccc(CCCCc2ccc(O)c(C3CCCCC3)c2)cc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol?
The InChIKey is CRQJAOMWZNKUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2/c29-27-17-15-21(19-25(27)23-11-3-1-4-12-23)9-7-8-10-22-16-18-28(30)26(20-22)24-13-5-2-6-14-24/h15-20,23-24,29-30H,1-14H2.
What are the key properties of 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol?
2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol has a molecular weight of 406.61 g/mol, XLogP of 7.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 23127930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).