2-fluoro-5-methoxy-10H-anthracen-9-one

C15H11FO2 — CID 171849218

IUPAC2-fluoro-5-methoxy-10H-anthracen-9-one
SMILESCOc1cccc2c1Cc1ccc(F)cc1C2=O
InChIInChI=1S/C15H11FO2/c1-18-14-4-2-3-11-13(14)7-9-5-6-10(16)8-12(9)15(11)17/h2-6,8H,7H2,1H3
InChIKeyAVBPUVHBZUSRMG-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.97
Rot. Bonds1

About 2-fluoro-5-methoxy-10H-anthracen-9-one

2-fluoro-5-methoxy-10H-anthracen-9-one (PubChem CID 171849218) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-10H-anthracen-9-one.

Molecular Properties

Compound Name2-fluoro-5-methoxy-10H-anthracen-9-one
PubChem CID171849218
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name2-fluoro-5-methoxy-10H-anthracen-9-one
SMILESCOc1cccc2c1Cc1ccc(F)cc1C2=O
InChIInChI=1S/C15H11FO2/c1-18-14-4-2-3-11-13(14)7-9-5-6-10(16)8-12(9)15(11)17/h2-6,8H,7H2,1H3
InChIKeyAVBPUVHBZUSRMG-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-10H-anthracen-9-one?
The IUPAC name of 2-fluoro-5-methoxy-10H-anthracen-9-one (CID 171849218) is 2-fluoro-5-methoxy-10H-anthracen-9-one.
What is the SMILES notation for 2-fluoro-5-methoxy-10H-anthracen-9-one?
The canonical SMILES for 2-fluoro-5-methoxy-10H-anthracen-9-one is COc1cccc2c1Cc1ccc(F)cc1C2=O.
What is the InChIKey of 2-fluoro-5-methoxy-10H-anthracen-9-one?
The InChIKey is AVBPUVHBZUSRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c1-18-14-4-2-3-11-13(14)7-9-5-6-10(16)8-12(9)15(11)17/h2-6,8H,7H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-10H-anthracen-9-one?
2-fluoro-5-methoxy-10H-anthracen-9-one has a molecular weight of 242.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-10H-anthracen-9-one is sourced from PubChem (CID 171849218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).