2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol

C29H42O4 — CID 21257865

IUPAC2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
SMILESCCCCc1cc(C2(c3ccc(OCCO)c(CCCC)c3)CCCC2)ccc1OCCO
InChIInChI=1S/C29H42O4/c1-3-5-9-23-21-25(11-13-27(23)32-19-17-30)29(15-7-8-16-29)26-12-14-28(33-20-18-31)24(22-26)10-6-4-2/h11-14,21-22,30-31H,3-10,15-20H2,1-2H3
InChIKeyLAGGIKXICCEGIC-UHFFFAOYSA-N
MW454.65 g/mol
LogP5.97
Rot. Bonds14

About 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol

2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol (PubChem CID 21257865) has the molecular formula C29H42O4 and a molecular weight of 454.65 g/mol. Its IUPAC name is 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
PubChem CID21257865
Molecular FormulaC29H42O4
Molecular Weight454.65 g/mol
Exact Mass454.31
IUPAC Name2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
SMILESCCCCc1cc(C2(c3ccc(OCCO)c(CCCC)c3)CCCC2)ccc1OCCO
InChIInChI=1S/C29H42O4/c1-3-5-9-23-21-25(11-13-27(23)32-19-17-30)29(15-7-8-16-29)26-12-14-28(33-20-18-31)24(22-26)10-6-4-2/h11-14,21-22,30-31H,3-10,15-20H2,1-2H3
InChIKeyLAGGIKXICCEGIC-UHFFFAOYSA-N
XLogP5.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 55.97
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-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol
CID 18618779
2-(4-amino-2-butylphenoxy)ethanol
CID 142157339
2-(2-butyl-4-cycloheptylphenoxy)ethanol
CID 22374418
2-[4-[1-[3,5-diethyl-4-(2-hydroxyethoxy)phenyl]cyclooctyl]-2,6-diethylphenoxy]ethanol
CID 21257857
2-(2-dodecylphenoxy)ethanol
CID 14475097
3-[4-[4-[4-(3-hydroxypropoxy)-3-pentylphenyl]phenyl]phenoxy]propan-1-ol
CID 174566035
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 23465356
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide
CID 89113398
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
The IUPAC name of 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol (CID 21257865) is 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol is CCCCc1cc(C2(c3ccc(OCCO)c(CCCC)c3)CCCC2)ccc1OCCO.
What is the InChIKey of 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
The InChIKey is LAGGIKXICCEGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42O4/c1-3-5-9-23-21-25(11-13-27(23)32-19-17-30)29(15-7-8-16-29)26-12-14-28(33-20-18-31)24(22-26)10-6-4-2/h11-14,21-22,30-31H,3-10,15-20H2,1-2H3.
What are the key properties of 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol has a molecular weight of 454.65 g/mol, XLogP of 5.97, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol is sourced from PubChem (CID 21257865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).