8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one

C15H15FO3 — CID 134190466

IUPAC8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one
SMILESC=CCc1cc2ccc(OCCC)c(F)c2c(=O)o1
InChIInChI=1S/C15H15FO3/c1-3-5-11-9-10-6-7-12(18-8-4-2)14(16)13(10)15(17)19-11/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyAIRRKCIPGKLYRM-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.45
Rot. Bonds5

About 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one

8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one (PubChem CID 134190466) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one.

Molecular Properties

Compound Name8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one
PubChem CID134190466
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one
SMILESC=CCc1cc2ccc(OCCC)c(F)c2c(=O)o1
InChIInChI=1S/C15H15FO3/c1-3-5-11-9-10-6-7-12(18-8-4-2)14(16)13(10)15(17)19-11/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyAIRRKCIPGKLYRM-UHFFFAOYSA-N
XLogP3.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-7-hexoxy-3-prop-2-enylisochromen-1-one
CID 134190477
3-[2-(4-but-3-enylphenyl)ethyl]-8-fluoro-7-propoxyisochromen-1-one
CID 134190782
3-ethyl-8-fluoro-7-prop-2-enoxyisochromen-1-one
CID 134190509
3-butyl-8-fluoro-7-prop-2-enoxyisochromen-1-one
CID 134190517
3-ethyl-8-fluoro-7-octoxyisochromen-1-one
CID 134190431
3-ethyl-8-fluoro-7-hexoxyisochromen-1-one
CID 134190402
7-but-3-enoxy-3-(3-ethoxypropyl)-8-fluoroisochromen-1-one
CID 134190591
8-fluoro-7-hexoxy-3-propylisochromen-1-one
CID 134190412
8-fluoro-3-heptyl-7-pentoxyisochromen-1-one
CID 134190400
7-butoxy-8-fluoro-3-hexylisochromen-1-one
CID 134190382
8-fluoro-3-octyl-7-pentoxyisochromen-1-one
CID 134190404
8-fluoro-7-nonoxy-3-octylisochromen-1-one
CID 134190449

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one?
The IUPAC name of 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one (CID 134190466) is 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one.
What is the SMILES notation for 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one?
The canonical SMILES for 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one is C=CCc1cc2ccc(OCCC)c(F)c2c(=O)o1.
What is the InChIKey of 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one?
The InChIKey is AIRRKCIPGKLYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c1-3-5-11-9-10-6-7-12(18-8-4-2)14(16)13(10)15(17)19-11/h3,6-7,9H,1,4-5,8H2,2H3.
What are the key properties of 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one?
8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one has a molecular weight of 262.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one is sourced from PubChem (CID 134190466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).