1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene

C18H20O3 — CID 14353116

IUPAC1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene
SMILESC=CCOCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h2-5,7-12H,1,6,13-15H2
InChIKeyAINHTKLJSKMPIF-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.45
Rot. Bonds9

About 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene

1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene (PubChem CID 14353116) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene.

Molecular Properties

Compound Name1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene
PubChem CID14353116
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene
SMILESC=CCOCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h2-5,7-12H,1,6,13-15H2
InChIKeyAINHTKLJSKMPIF-UHFFFAOYSA-N
XLogP4.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene?
The IUPAC name of 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene (CID 14353116) is 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene.
What is the SMILES notation for 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene?
The canonical SMILES for 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene is C=CCOCCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene?
The InChIKey is AINHTKLJSKMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h2-5,7-12H,1,6,13-15H2.
What are the key properties of 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene?
1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene has a molecular weight of 284.36 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(3-prop-2-enoxypropoxy)benzene is sourced from PubChem (CID 14353116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).