2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol

C26H36O4 — CID 18618779

IUPAC2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol
SMILESCCc1cc(C2(c3ccc(OCCO)c(CC)c3)CCCCC2)ccc1OCCO
InChIInChI=1S/C26H36O4/c1-3-20-18-22(8-10-24(20)29-16-14-27)26(12-6-5-7-13-26)23-9-11-25(30-17-15-28)21(4-2)19-23/h8-11,18-19,27-28H,3-7,12-17H2,1-2H3
InChIKeyIHNKXPZELSPNDI-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.80
Rot. Bonds10

About 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol

2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol (PubChem CID 18618779) has the molecular formula C26H36O4 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol
PubChem CID18618779
Molecular FormulaC26H36O4
Molecular Weight412.57 g/mol
Exact Mass412.26
IUPAC Name2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol
SMILESCCc1cc(C2(c3ccc(OCCO)c(CC)c3)CCCCC2)ccc1OCCO
InChIInChI=1S/C26H36O4/c1-3-20-18-22(8-10-24(20)29-16-14-27)26(12-6-5-7-13-26)23-9-11-25(30-17-15-28)21(4-2)19-23/h8-11,18-19,27-28H,3-7,12-17H2,1-2H3
InChIKeyIHNKXPZELSPNDI-UHFFFAOYSA-N
XLogP4.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclooctyl]phenoxy]ethanol
CID 21257839
2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
CID 21257865
2-[4-[1-[3,5-diethyl-4-(2-hydroxyethoxy)phenyl]cyclooctyl]-2,6-diethylphenoxy]ethanol
CID 21257857
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
[1-hydroxy-3-[4-[1-[4-(3-hydroxy-3-prop-2-enoyloxypropoxy)-3-methylphenyl]cyclohexyl]-2-methylphenoxy]propyl] prop-2-enoate
CID 102581574
2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
CID 175486733
2-[2-ethyl-4-[2-[3-ethyl-4-(2-hydroxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethanol
CID 139707349
2-[4-[1-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]cycloheptyl]-2,6-di(propan-2-yl)phenoxy]ethanol
CID 21257888
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol
CID 22003359
[4-[1-[4-(4-ethylbenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-ethylbenzoate
CID 58453565

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol?
The IUPAC name of 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol (CID 18618779) is 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol is CCc1cc(C2(c3ccc(OCCO)c(CC)c3)CCCCC2)ccc1OCCO.
What is the InChIKey of 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol?
The InChIKey is IHNKXPZELSPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O4/c1-3-20-18-22(8-10-24(20)29-16-14-27)26(12-6-5-7-13-26)23-9-11-25(30-17-15-28)21(4-2)19-23/h8-11,18-19,27-28H,3-7,12-17H2,1-2H3.
What are the key properties of 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol?
2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol has a molecular weight of 412.57 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol is sourced from PubChem (CID 18618779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).