1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol

C16H18O4 — CID 69171334

IUPAC1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol
SMILESCC(O)Oc1ccccc1-c1ccccc1OC(C)O
InChIInChI=1S/C16H18O4/c1-11(17)19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)20-12(2)18/h3-12,17-18H,1-2H3
InChIKeyIBDPNJDUTXLLSL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol

1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol (PubChem CID 69171334) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol.

Molecular Properties

Compound Name1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol
PubChem CID69171334
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol
SMILESCC(O)Oc1ccccc1-c1ccccc1OC(C)O
InChIInChI=1S/C16H18O4/c1-11(17)19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)20-12(2)18/h3-12,17-18H,1-2H3
InChIKeyIBDPNJDUTXLLSL-UHFFFAOYSA-N
XLogP2.79
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol?
The IUPAC name of 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol (CID 69171334) is 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol.
What is the SMILES notation for 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol?
The canonical SMILES for 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol is CC(O)Oc1ccccc1-c1ccccc1OC(C)O.
What is the InChIKey of 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol?
The InChIKey is IBDPNJDUTXLLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-11(17)19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)20-12(2)18/h3-12,17-18H,1-2H3.
What are the key properties of 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol?
1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol has a molecular weight of 274.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol is sourced from PubChem (CID 69171334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).