2-fluoro-11-methoxybenzo[a]xanthen-12-one

C18H11FO3 — CID 135193788

IUPAC2-fluoro-11-methoxybenzo[a]xanthen-12-one
SMILESCOc1cccc2oc3ccc4ccc(F)cc4c3c(=O)c12
InChIInChI=1S/C18H11FO3/c1-21-13-3-2-4-14-17(13)18(20)16-12-9-11(19)7-5-10(12)6-8-15(16)22-14/h2-9H,1H3
InChIKeyQJDDURCJJDTHKG-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.25
Rot. Bonds1

About 2-fluoro-11-methoxybenzo[a]xanthen-12-one

2-fluoro-11-methoxybenzo[a]xanthen-12-one (PubChem CID 135193788) has the molecular formula C18H11FO3 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-fluoro-11-methoxybenzo[a]xanthen-12-one.

Molecular Properties

Compound Name2-fluoro-11-methoxybenzo[a]xanthen-12-one
PubChem CID135193788
Molecular FormulaC18H11FO3
Molecular Weight294.28 g/mol
Exact Mass294.07
IUPAC Name2-fluoro-11-methoxybenzo[a]xanthen-12-one
SMILESCOc1cccc2oc3ccc4ccc(F)cc4c3c(=O)c12
InChIInChI=1S/C18H11FO3/c1-21-13-3-2-4-14-17(13)18(20)16-12-9-11(19)7-5-10(12)6-8-15(16)22-14/h2-9H,1H3
InChIKeyQJDDURCJJDTHKG-UHFFFAOYSA-N
XLogP4.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-11-methoxybenzo[a]xanthen-12-one?
The IUPAC name of 2-fluoro-11-methoxybenzo[a]xanthen-12-one (CID 135193788) is 2-fluoro-11-methoxybenzo[a]xanthen-12-one.
What is the SMILES notation for 2-fluoro-11-methoxybenzo[a]xanthen-12-one?
The canonical SMILES for 2-fluoro-11-methoxybenzo[a]xanthen-12-one is COc1cccc2oc3ccc4ccc(F)cc4c3c(=O)c12.
What is the InChIKey of 2-fluoro-11-methoxybenzo[a]xanthen-12-one?
The InChIKey is QJDDURCJJDTHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FO3/c1-21-13-3-2-4-14-17(13)18(20)16-12-9-11(19)7-5-10(12)6-8-15(16)22-14/h2-9H,1H3.
What are the key properties of 2-fluoro-11-methoxybenzo[a]xanthen-12-one?
2-fluoro-11-methoxybenzo[a]xanthen-12-one has a molecular weight of 294.28 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-11-methoxybenzo[a]xanthen-12-one is sourced from PubChem (CID 135193788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).