2-phenoxy-2-(3-phenoxypropoxy)ethanol

C17H20O4 — CID 57182517

IUPAC2-phenoxy-2-(3-phenoxypropoxy)ethanol
SMILESOCC(OCCCOc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H20O4/c18-14-17(21-16-10-5-2-6-11-16)20-13-7-12-19-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2
InChIKeyZEGZYWYLAHKJCE-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.87
Rot. Bonds9

About 2-phenoxy-2-(3-phenoxypropoxy)ethanol

2-phenoxy-2-(3-phenoxypropoxy)ethanol (PubChem CID 57182517) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-phenoxy-2-(3-phenoxypropoxy)ethanol.

Molecular Properties

Compound Name2-phenoxy-2-(3-phenoxypropoxy)ethanol
PubChem CID57182517
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-phenoxy-2-(3-phenoxypropoxy)ethanol
SMILESOCC(OCCCOc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H20O4/c18-14-17(21-16-10-5-2-6-11-16)20-13-7-12-19-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2
InChIKeyZEGZYWYLAHKJCE-UHFFFAOYSA-N
XLogP2.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-(3-phenoxypropoxy)ethanol?
The IUPAC name of 2-phenoxy-2-(3-phenoxypropoxy)ethanol (CID 57182517) is 2-phenoxy-2-(3-phenoxypropoxy)ethanol.
What is the SMILES notation for 2-phenoxy-2-(3-phenoxypropoxy)ethanol?
The canonical SMILES for 2-phenoxy-2-(3-phenoxypropoxy)ethanol is OCC(OCCCOc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-phenoxy-2-(3-phenoxypropoxy)ethanol?
The InChIKey is ZEGZYWYLAHKJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c18-14-17(21-16-10-5-2-6-11-16)20-13-7-12-19-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2.
What are the key properties of 2-phenoxy-2-(3-phenoxypropoxy)ethanol?
2-phenoxy-2-(3-phenoxypropoxy)ethanol has a molecular weight of 288.34 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-(3-phenoxypropoxy)ethanol is sourced from PubChem (CID 57182517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).