2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene

C17H22O4 — CID 174311801

IUPAC2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
SMILESOCCOCCO.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H12O.C4H10O3/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;5-1-3-7-4-2-6/h1-10H,11H2;5-6H,1-4H2
InChIKeyGHPMMZGPOGUISN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.25
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene

2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene (PubChem CID 174311801) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
PubChem CID174311801
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
SMILESOCCOCCO.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H12O.C4H10O3/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;5-1-3-7-4-2-6/h1-10H,11H2;5-6H,1-4H2
InChIKeyGHPMMZGPOGUISN-UHFFFAOYSA-N
XLogP2.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.25
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-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
phenoxymethylbenzene;sulfuric acid
CID 68982967
phenoxymethylbenzene;2-phenylphenol
CID 159234068
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
2-[2-(phenylmethoxyamino)ethoxy]ethanol
CID 64974239
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol
CID 138693605
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 91565565

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene (CID 174311801) is 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene is OCCOCCO.c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene?
The InChIKey is GHPMMZGPOGUISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C4H10O3/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;5-1-3-7-4-2-6/h1-10H,11H2;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene?
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene has a molecular weight of 290.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene is sourced from PubChem (CID 174311801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).