2-(2-phenoxyethoxy)ethanol;hydrate

C10H16O4 — CID 176895463

IUPAC2-(2-phenoxyethoxy)ethanol;hydrate
SMILESO.OCCOCCOc1ccccc1
InChIInChI=1S/C10H14O3.H2O/c11-6-7-12-8-9-13-10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H2
InChIKeyZCCSXACOFXBRFE-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.25
Rot. Bonds6

About 2-(2-phenoxyethoxy)ethanol;hydrate

2-(2-phenoxyethoxy)ethanol;hydrate (PubChem CID 176895463) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)ethanol;hydrate.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)ethanol;hydrate
PubChem CID176895463
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(2-phenoxyethoxy)ethanol;hydrate
SMILESO.OCCOCCOc1ccccc1
InChIInChI=1S/C10H14O3.H2O/c11-6-7-12-8-9-13-10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H2
InChIKeyZCCSXACOFXBRFE-UHFFFAOYSA-N
XLogP0.25
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
2-[2-[2-[2-[4-[2-[2-[2-[2-(4-tritylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10819033
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
4-aminobenzoic acid;2-(2-phenoxyethoxy)ethanol
CID 71320764
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)ethanol;hydrate?
The IUPAC name of 2-(2-phenoxyethoxy)ethanol;hydrate (CID 176895463) is 2-(2-phenoxyethoxy)ethanol;hydrate.
What is the SMILES notation for 2-(2-phenoxyethoxy)ethanol;hydrate?
The canonical SMILES for 2-(2-phenoxyethoxy)ethanol;hydrate is O.OCCOCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)ethanol;hydrate?
The InChIKey is ZCCSXACOFXBRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.H2O/c11-6-7-12-8-9-13-10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H2.
What are the key properties of 2-(2-phenoxyethoxy)ethanol;hydrate?
2-(2-phenoxyethoxy)ethanol;hydrate has a molecular weight of 200.23 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)ethanol;hydrate is sourced from PubChem (CID 176895463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).