9-fluorobenzo[a]xanthen-12-one

C17H9FO2 — CID 135193713

IUPAC9-fluorobenzo[a]xanthen-12-one
SMILESO=c1c2ccc(F)cc2oc2ccc3ccccc3c12
InChIInChI=1S/C17H9FO2/c18-11-6-7-13-15(9-11)20-14-8-5-10-3-1-2-4-12(10)16(14)17(13)19/h1-9H
InChIKeyZMUCZRVABAEQFE-UHFFFAOYSA-N
MW264.26 g/mol
LogP4.24
Rot. Bonds

About 9-fluorobenzo[a]xanthen-12-one

9-fluorobenzo[a]xanthen-12-one (PubChem CID 135193713) has the molecular formula C17H9FO2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 9-fluorobenzo[a]xanthen-12-one.

Molecular Properties

Compound Name9-fluorobenzo[a]xanthen-12-one
PubChem CID135193713
Molecular FormulaC17H9FO2
Molecular Weight264.26 g/mol
Exact Mass264.06
IUPAC Name9-fluorobenzo[a]xanthen-12-one
SMILESO=c1c2ccc(F)cc2oc2ccc3ccccc3c12
InChIInChI=1S/C17H9FO2/c18-11-6-7-13-15(9-11)20-14-8-5-10-3-1-2-4-12(10)16(14)17(13)19/h1-9H
InChIKeyZMUCZRVABAEQFE-UHFFFAOYSA-N
XLogP4.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

2-fluoro-11-methoxybenzo[a]xanthen-12-one
CID 135193788
8-methoxybenzo[a]xanthen-12-one
CID 135193701
10-[4-(4-fluorophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 170374860
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
(12-oxobenzo[a]xanthen-10-yl) acetate
CID 135193706
2,9-difluorobenzo[b]xanthen-12-one
CID 135167571
2-fluoro-8-(naphthalen-2-ylmethyl)dibenzofuran
CID 91585035
2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
1-naphtho[2,1-b][1]benzofuran-9-ylethanone
CID 170226949
1-[[(4-fluorophenyl)methylamino]methyl]benzo[f]chromen-3-one
CID 9256557
3-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193813

Frequently Asked Questions

What is the IUPAC name of 9-fluorobenzo[a]xanthen-12-one?
The IUPAC name of 9-fluorobenzo[a]xanthen-12-one (CID 135193713) is 9-fluorobenzo[a]xanthen-12-one.
What is the SMILES notation for 9-fluorobenzo[a]xanthen-12-one?
The canonical SMILES for 9-fluorobenzo[a]xanthen-12-one is O=c1c2ccc(F)cc2oc2ccc3ccccc3c12.
What is the InChIKey of 9-fluorobenzo[a]xanthen-12-one?
The InChIKey is ZMUCZRVABAEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FO2/c18-11-6-7-13-15(9-11)20-14-8-5-10-3-1-2-4-12(10)16(14)17(13)19/h1-9H.
What are the key properties of 9-fluorobenzo[a]xanthen-12-one?
9-fluorobenzo[a]xanthen-12-one has a molecular weight of 264.26 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluorobenzo[a]xanthen-12-one is sourced from PubChem (CID 135193713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).