2-(2-hydroxyethoxy)ethanol;4-octylphenol

C18H32O4 — CID 158887559

IUPAC2-(2-hydroxyethoxy)ethanol;4-octylphenol
SMILESCCCCCCCCc1ccc(O)cc1.OCCOCCO
InChIInChI=1S/C14H22O.C4H10O3/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;5-1-3-7-4-2-6/h9-12,15H,2-8H2,1H3;5-6H,1-4H2
InChIKeyJDVASCOMAARWNV-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.28
Rot. Bonds11

About 2-(2-hydroxyethoxy)ethanol;4-octylphenol

2-(2-hydroxyethoxy)ethanol;4-octylphenol (PubChem CID 158887559) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;4-octylphenol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;4-octylphenol
PubChem CID158887559
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name2-(2-hydroxyethoxy)ethanol;4-octylphenol
SMILESCCCCCCCCc1ccc(O)cc1.OCCOCCO
InChIInChI=1S/C14H22O.C4H10O3/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;5-1-3-7-4-2-6/h9-12,15H,2-8H2,1H3;5-6H,1-4H2
InChIKeyJDVASCOMAARWNV-UHFFFAOYSA-N
XLogP3.28
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanolate;nickel(3+);4-octylphenol
CID 159960852
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-(5-propoxypentyl)phenol
CID 175182886
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
2-hydroxyethyl dihydrogen phosphate;4-octylphenol
CID 170173418
calcium;hydride;4-tetradecylphenol
CID 174582359
barium(2+);hydride;4-nonylphenol
CID 173156845
calcium;hydride;4-octylphenol
CID 173256756
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-(2-pentoxyethyl)phenol
CID 67806399

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;4-octylphenol?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;4-octylphenol (CID 158887559) is 2-(2-hydroxyethoxy)ethanol;4-octylphenol.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;4-octylphenol?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;4-octylphenol is CCCCCCCCc1ccc(O)cc1.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;4-octylphenol?
The InChIKey is JDVASCOMAARWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C4H10O3/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;5-1-3-7-4-2-6/h9-12,15H,2-8H2,1H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;4-octylphenol?
2-(2-hydroxyethoxy)ethanol;4-octylphenol has a molecular weight of 312.45 g/mol, XLogP of 3.28, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;4-octylphenol is sourced from PubChem (CID 158887559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).