1-fluoro-2-phenoxy-4-prop-2-enylbenzene

C15H13FO — CID 11075159

IUPAC1-fluoro-2-phenoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C15H13FO/c1-2-6-12-9-10-14(16)15(11-12)17-13-7-4-3-5-8-13/h2-5,7-11H,1,6H2
InChIKeyNFFDKUUHWHPBGS-UHFFFAOYSA-N
MW228.27 g/mol
LogP4.35
Rot. Bonds4

About 1-fluoro-2-phenoxy-4-prop-2-enylbenzene

1-fluoro-2-phenoxy-4-prop-2-enylbenzene (PubChem CID 11075159) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-fluoro-2-phenoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-fluoro-2-phenoxy-4-prop-2-enylbenzene
PubChem CID11075159
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name1-fluoro-2-phenoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C15H13FO/c1-2-6-12-9-10-14(16)15(11-12)17-13-7-4-3-5-8-13/h2-5,7-11H,1,6H2
InChIKeyNFFDKUUHWHPBGS-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-phenoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-fluoro-2-phenoxy-4-prop-2-enylbenzene (CID 11075159) is 1-fluoro-2-phenoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-fluoro-2-phenoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-fluoro-2-phenoxy-4-prop-2-enylbenzene is C=CCc1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 1-fluoro-2-phenoxy-4-prop-2-enylbenzene?
The InChIKey is NFFDKUUHWHPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-2-6-12-9-10-14(16)15(11-12)17-13-7-4-3-5-8-13/h2-5,7-11H,1,6H2.
What are the key properties of 1-fluoro-2-phenoxy-4-prop-2-enylbenzene?
1-fluoro-2-phenoxy-4-prop-2-enylbenzene has a molecular weight of 228.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-phenoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 11075159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).