6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol

C15H18O4 — CID 170073111

IUPAC6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol
SMILESC#Cc1ccc(CCOC2CC(O)CC(O)O2)cc1
InChIInChI=1S/C15H18O4/c1-2-11-3-5-12(6-4-11)7-8-18-15-10-13(16)9-14(17)19-15/h1,3-6,13-17H,7-10H2
InChIKeyYHTPDWJQJPILEQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.04
Rot. Bonds4

About 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol

6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol (PubChem CID 170073111) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol.

Molecular Properties

Compound Name6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol
PubChem CID170073111
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol
SMILESC#Cc1ccc(CCOC2CC(O)CC(O)O2)cc1
InChIInChI=1S/C15H18O4/c1-2-11-3-5-12(6-4-11)7-8-18-15-10-13(16)9-14(17)19-15/h1,3-6,13-17H,7-10H2
InChIKeyYHTPDWJQJPILEQ-UHFFFAOYSA-N
XLogP1.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol?
The IUPAC name of 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol (CID 170073111) is 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol.
What is the SMILES notation for 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol?
The canonical SMILES for 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol is C#Cc1ccc(CCOC2CC(O)CC(O)O2)cc1.
What is the InChIKey of 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol?
The InChIKey is YHTPDWJQJPILEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-11-3-5-12(6-4-11)7-8-18-15-10-13(16)9-14(17)19-15/h1,3-6,13-17H,7-10H2.
What are the key properties of 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol?
6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol has a molecular weight of 262.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethynylphenyl)ethoxy]oxane-2,4-diol is sourced from PubChem (CID 170073111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).