2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol

C26H30O6 — CID 164757819

IUPAC2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(Cc2ccc(OCCO)c(Cc3ccc(OCCO)cc3)c2)cc1
InChIInChI=1S/C26H30O6/c27-11-14-30-24-6-1-20(2-7-24)17-22-5-10-26(32-16-13-29)23(19-22)18-21-3-8-25(9-4-21)31-15-12-28/h1-10,19,27-29H,11-18H2
InChIKeyHTGBAISCJLDJCY-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.98
Rot. Bonds13

About 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol

2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol (PubChem CID 164757819) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol
PubChem CID164757819
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(Cc2ccc(OCCO)c(Cc3ccc(OCCO)cc3)c2)cc1
InChIInChI=1S/C26H30O6/c27-11-14-30-24-6-1-20(2-7-24)17-22-5-10-26(32-16-13-29)23(19-22)18-21-3-8-25(9-4-21)31-15-12-28/h1-10,19,27-29H,11-18H2
InChIKeyHTGBAISCJLDJCY-UHFFFAOYSA-N
XLogP2.98
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[5-[[4-(2-hydroperoxyethoxy)phenyl]methyl]-2-(2-hydroxyethoxy)phenyl]methyl]phenoxy]ethanol
CID 176586407
2,4-bis[(4-hydroxyphenyl)methyl]phenol;1,3-dioxolan-2-one;2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol;methane
CID 164950217
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol
CID 59557784
CID 162335780
CID 162335780
2-[2-(2-hydroxyethoxy)-5-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenyl]ethanol
CID 19034529
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
CID 102448547
CID 90413070
CID 90413070
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol
CID 139687434
2-[4-(2-aminooxyethyl)phenoxy]ethanol
CID 117286926

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol (CID 164757819) is 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol is OCCOc1ccc(Cc2ccc(OCCO)c(Cc3ccc(OCCO)cc3)c2)cc1.
What is the InChIKey of 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol?
The InChIKey is HTGBAISCJLDJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c27-11-14-30-24-6-1-20(2-7-24)17-22-5-10-26(32-16-13-29)23(19-22)18-21-3-8-25(9-4-21)31-15-12-28/h1-10,19,27-29H,11-18H2.
What are the key properties of 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol?
2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol has a molecular weight of 438.52 g/mol, XLogP of 2.98, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol is sourced from PubChem (CID 164757819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).