1-ethoxy-3-(3-phenoxypropoxy)benzene

C17H20O3 — CID 2289088

IUPAC1-ethoxy-3-(3-phenoxypropoxy)benzene
SMILESCCOc1cccc(OCCCOc2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-2-18-16-10-6-11-17(14-16)20-13-7-12-19-15-8-4-3-5-9-15/h3-6,8-11,14H,2,7,12-13H2,1H3
InChIKeyOFDKAUXTGXBFIH-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.93
Rot. Bonds8

About 1-ethoxy-3-(3-phenoxypropoxy)benzene

1-ethoxy-3-(3-phenoxypropoxy)benzene (PubChem CID 2289088) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-ethoxy-3-(3-phenoxypropoxy)benzene.

Molecular Properties

Compound Name1-ethoxy-3-(3-phenoxypropoxy)benzene
PubChem CID2289088
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-ethoxy-3-(3-phenoxypropoxy)benzene
SMILESCCOc1cccc(OCCCOc2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-2-18-16-10-6-11-17(14-16)20-13-7-12-19-15-8-4-3-5-9-15/h3-6,8-11,14H,2,7,12-13H2,1H3
InChIKeyOFDKAUXTGXBFIH-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-phenoxypropoxy)benzene?
The IUPAC name of 1-ethoxy-3-(3-phenoxypropoxy)benzene (CID 2289088) is 1-ethoxy-3-(3-phenoxypropoxy)benzene.
What is the SMILES notation for 1-ethoxy-3-(3-phenoxypropoxy)benzene?
The canonical SMILES for 1-ethoxy-3-(3-phenoxypropoxy)benzene is CCOc1cccc(OCCCOc2ccccc2)c1.
What is the InChIKey of 1-ethoxy-3-(3-phenoxypropoxy)benzene?
The InChIKey is OFDKAUXTGXBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-2-18-16-10-6-11-17(14-16)20-13-7-12-19-15-8-4-3-5-9-15/h3-6,8-11,14H,2,7,12-13H2,1H3.
What are the key properties of 1-ethoxy-3-(3-phenoxypropoxy)benzene?
1-ethoxy-3-(3-phenoxypropoxy)benzene has a molecular weight of 272.34 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(3-phenoxypropoxy)benzene is sourced from PubChem (CID 2289088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).