4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol

C26H34O2 — CID 19873642

IUPAC4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCCC1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C26H34O2/c1-2-19-3-5-20(6-4-19)21-15-17-26(18-16-21,22-7-11-24(27)12-8-22)23-9-13-25(28)14-10-23/h7-14,19-21,27-28H,2-6,15-18H2,1H3
InChIKeyHGNRJTKSCKYNAQ-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.79
Rot. Bonds4

About 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol

4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 19873642) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID19873642
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCCC1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C26H34O2/c1-2-19-3-5-20(6-4-19)21-15-17-26(18-16-21,22-7-11-24(27)12-8-22)23-9-13-25(28)14-10-23/h7-14,19-21,27-28H,2-6,15-18H2,1H3
InChIKeyHGNRJTKSCKYNAQ-UHFFFAOYSA-N
XLogP6.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol (CID 19873642) is 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol is CCC1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is HGNRJTKSCKYNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-2-19-3-5-20(6-4-19)21-15-17-26(18-16-21,22-7-11-24(27)12-8-22)23-9-13-25(28)14-10-23/h7-14,19-21,27-28H,2-6,15-18H2,1H3.
What are the key properties of 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol?
4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 378.56 g/mol, XLogP of 6.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 19873642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).