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

C24H34O4 — CID 139831972

IUPAC2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol
SMILESCCCCCC(CC)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
InChIInChI=1S/C24H34O4/c1-3-5-6-15-24(4-2,20-7-11-22(12-8-20)27-18-16-25)21-9-13-23(14-10-21)28-19-17-26/h7-14,25-26H,3-6,15-19H2,1-2H3
InChIKeyHXJRBPFNYXZZOG-UHFFFAOYSA-N
MW386.53 g/mol
LogP4.71
Rot. Bonds13

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

2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol (PubChem CID 139831972) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol
PubChem CID139831972
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol
SMILESCCCCCC(CC)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
InChIInChI=1S/C24H34O4/c1-3-5-6-15-24(4-2,20-7-11-22(12-8-20)27-18-16-25)21-9-13-23(14-10-21)28-19-17-26/h7-14,25-26H,3-6,15-19H2,1-2H3
InChIKeyHXJRBPFNYXZZOG-UHFFFAOYSA-N
XLogP4.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[4-(2-hydroxyethoxy)phenyl]dodecan-2-yl]phenoxy]ethanol
CID 139685224
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
CID 102437281
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925879
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925876
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925878
2-[2-[2-[2-[2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90471302
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2-methyloctan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925855
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline
CID 19913250
1,1-bis(4-octadecoxyphenyl)decylphosphane
CID 22342118
1,4-dipentoxybenzene
CID 18314717
2-phenoxyethanol;tetradecan-1-ol
CID 118450850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol (CID 139831972) is 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol is CCCCCC(CC)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol?
The InChIKey is HXJRBPFNYXZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-3-5-6-15-24(4-2,20-7-11-22(12-8-20)27-18-16-25)21-9-13-23(14-10-21)28-19-17-26/h7-14,25-26H,3-6,15-19H2,1-2H3.
What are the key properties of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol?
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol has a molecular weight of 386.53 g/mol, XLogP of 4.71, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol is sourced from PubChem (CID 139831972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).