9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one

C180H110F10O26 — CID 158589357

IUPAC9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one
SMILESCOc1ccc2c(=O)c3cc4c(F)cccc4cc3oc2c1.COc1ccc2c(=O)c3cc4cc(F)ccc4cc3oc2c1.COc1ccc2oc3cc4cccc(F)c4cc3c(=O)c2c1.COc1cccc2c(=O)c3cc4c(F)cccc4cc3oc12.COc1cccc2oc3cc4ccc(F)cc4cc3c(=O)c12.COc1cccc2oc3cc4cccc(F)c4cc3c(=O)c12.Cc1ccc2cc3oc4c(F)cccc4c(=O)c3cc2c1.Cc1ccc2cc3oc4cc(F)ccc4c(=O)c3cc2c1.Cc1ccc2cc3oc4ccc(F)cc4c(=O)c3cc2c1.Cc1ccc2cc3oc4cccc(F)c4c(=O)c3cc2c1
InChIInChI=1S/6C18H11FO3.4C18H11FO2/c1-21-15-7-3-5-11-17(20)13-9-12-10(4-2-6-14(12)19)8-16(13)22-18(11)15;1-21-14-6-3-7-15-17(14)18(20)12-9-11-10(8-16(12)22-15)4-2-5-13(11)19;1-21-13-4-5-14-17(9-13)22-16-8-10-2-3-12(19)6-11(10)7-15(16)18(14)20;1-21-14-3-2-4-15-17(14)18(20)13-8-11-7-12(19)6-5-10(11)9-16(13)22-15;1-21-11-5-6-16-13(8-11)18(20)14-9-12-10(7-17(14)22-16)3-2-4-15(12)19;1-21-11-5-6-12-17(8-11)22-16-7-10-3-2-4-15(19)13(10)9-14(16)18(12)20;1-10-2-3-11-8-17-14(7-12(11)6-10)18(20)15-9-13(19)4-5-16(15)21-17;1-10-2-3-11-8-16-15(7-12(11)6-10)18(20)14-5-4-13(19)9-17(14)21-16;1-10-5-6-11-9-16-13(8-12(11)7-10)18(20)17-14(19)3-2-4-15(17)21-16;1-10-5-6-11-9-16-14(8-12(11)7-10)17(20)13-3-2-4-15(19)18(13)21-16/h6*2-9H,1H3;4*2-9H,1H3
InChIKeyHUGFGJGSERZTGC-UHFFFAOYSA-N
MW2878.81 g/mol
LogP43.67
Rot. Bonds6

About 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one

9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one (PubChem CID 158589357) has the molecular formula C180H110F10O26 and a molecular weight of 2878.81 g/mol. Its IUPAC name is 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one.

Molecular Properties

Compound Name9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one
PubChem CID158589357
Molecular FormulaC180H110F10O26
Molecular Weight2878.81 g/mol
Exact Mass2876.71
IUPAC Name9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one
SMILESCOc1ccc2c(=O)c3cc4c(F)cccc4cc3oc2c1.COc1ccc2c(=O)c3cc4cc(F)ccc4cc3oc2c1.COc1ccc2oc3cc4cccc(F)c4cc3c(=O)c2c1.COc1cccc2c(=O)c3cc4c(F)cccc4cc3oc12.COc1cccc2oc3cc4ccc(F)cc4cc3c(=O)c12.COc1cccc2oc3cc4cccc(F)c4cc3c(=O)c12.Cc1ccc2cc3oc4c(F)cccc4c(=O)c3cc2c1.Cc1ccc2cc3oc4cc(F)ccc4c(=O)c3cc2c1.Cc1ccc2cc3oc4ccc(F)cc4c(=O)c3cc2c1.Cc1ccc2cc3oc4cccc(F)c4c(=O)c3cc2c1
InChIInChI=1S/6C18H11FO3.4C18H11FO2/c1-21-15-7-3-5-11-17(20)13-9-12-10(4-2-6-14(12)19)8-16(13)22-18(11)15;1-21-14-6-3-7-15-17(14)18(20)12-9-11-10(8-16(12)22-15)4-2-5-13(11)19;1-21-13-4-5-14-17(9-13)22-16-8-10-2-3-12(19)6-11(10)7-15(16)18(14)20;1-21-14-3-2-4-15-17(14)18(20)13-8-11-7-12(19)6-5-10(11)9-16(13)22-15;1-21-11-5-6-16-13(8-11)18(20)14-9-12-10(7-17(14)22-16)3-2-4-15(12)19;1-21-11-5-6-12-17(8-11)22-16-7-10-3-2-4-15(19)13(10)9-14(16)18(12)20;1-10-2-3-11-8-17-14(7-12(11)6-10)18(20)15-9-13(19)4-5-16(15)21-17;1-10-2-3-11-8-16-15(7-12(11)6-10)18(20)14-5-4-13(19)9-17(14)21-16;1-10-5-6-11-9-16-13(8-12(11)7-10)18(20)17-14(19)3-2-4-15(17)21-16;1-10-5-6-11-9-16-14(8-12(11)7-10)17(20)13-3-2-4-15(19)18(13)21-16/h6*2-9H,1H3;4*2-9H,1H3
InChIKeyHUGFGJGSERZTGC-UHFFFAOYSA-N
XLogP43.67
TPSA357.48 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds6
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002878.81
LogP ≤ 543.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one with MolForge

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Related Compounds

2-fluoro-10-methoxybenzo[b]xanthen-12-one
CID 135167611
2-fluoro-11-methoxybenzo[a]xanthen-12-one
CID 135193788
2,9-difluorobenzo[b]xanthen-12-one
CID 135167571
8-methoxybenzo[a]xanthen-12-one
CID 135193701
1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran
CID 161173227
1-fluoro-3-methoxyxanthen-9-one
CID 155932992
3-methoxy-9-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135178959
4-hydroxybenzo[b]xanthen-12-one;methyl 12-oxobenzo[b]xanthene-2-carboxylate;methyl 12-oxobenzo[b]xanthene-3-carboxylate;methyl 12-oxobenzo[b]xanthene-4-carboxylate;methyl 12-oxonaphtho[2,3-b]chromene-1-carboxylate;(12-oxobenzo[b]xanthen-2-yl) acetate;(12-oxobenzo[b]xanthen-3-yl) acetate;(12-oxonaphtho[2,3-b]chromen-1-yl) acetate
CID 159463701
iodomethane;methanethiol;methanol;18-methoxy-7-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 144582557
9-fluorobenzo[a]xanthen-12-one
CID 135193713
10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135167601
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one?
The IUPAC name of 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one (CID 158589357) is 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one.
What is the SMILES notation for 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one?
The canonical SMILES for 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one is COc1ccc2c(=O)c3cc4c(F)cccc4cc3oc2c1.COc1ccc2c(=O)c3cc4cc(F)ccc4cc3oc2c1.COc1ccc2oc3cc4cccc(F)c4cc3c(=O)c2c1.COc1cccc2c(=O)c3cc4c(F)cccc4cc3oc12.COc1cccc2oc3cc4ccc(F)cc4cc3c(=O)c12.COc1cccc2oc3cc4cccc(F)c4cc3c(=O)c12.Cc1ccc2cc3oc4c(F)cccc4c(=O)c3cc2c1.Cc1ccc2cc3oc4cc(F)ccc4c(=O)c3cc2c1.Cc1ccc2cc3oc4ccc(F)cc4c(=O)c3cc2c1.Cc1ccc2cc3oc4cccc(F)c4c(=O)c3cc2c1.
What is the InChIKey of 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one?
The InChIKey is HUGFGJGSERZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H11FO3.4C18H11FO2/c1-21-15-7-3-5-11-17(20)13-9-12-10(4-2-6-14(12)19)8-16(13)22-18(11)15;1-21-14-6-3-7-15-17(14)18(20)12-9-11-10(8-16(12)22-15)4-2-5-13(11)19;1-21-13-4-5-14-17(9-13)22-16-8-10-2-3-12(19)6-11(10)7-15(16)18(14)20;1-21-14-3-2-4-15-17(14)18(20)13-8-11-7-12(19)6-5-10(11)9-16(13)22-15;1-21-11-5-6-16-13(8-11)18(20)14-9-12-10(7-17(14)22-16)3-2-4-15(12)19;1-21-11-5-6-12-17(8-11)22-16-7-10-3-2-4-15(19)13(10)9-14(16)18(12)20;1-10-2-3-11-8-17-14(7-12(11)6-10)18(20)15-9-13(19)4-5-16(15)21-17;1-10-2-3-11-8-16-15(7-12(11)6-10)18(20)14-5-4-13(19)9-17(14)21-16;1-10-5-6-11-9-16-13(8-12(11)7-10)18(20)17-14(19)3-2-4-15(17)21-16;1-10-5-6-11-9-16-14(8-12(11)7-10)17(20)13-3-2-4-15(19)18(13)21-16/h6*2-9H,1H3;4*2-9H,1H3.
What are the key properties of 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one?
9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one has a molecular weight of 2878.81 g/mol, XLogP of 43.67, 6 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1-methoxybenzo[b]xanthen-12-one;9-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-1-methoxybenzo[b]xanthen-12-one;10-fluoro-2-methoxybenzo[b]xanthen-12-one;10-fluoro-3-methoxybenzo[b]xanthen-12-one;10-fluoro-4-methoxybenzo[b]xanthen-12-one;1-fluoro-9-methylbenzo[b]xanthen-12-one;2-fluoro-9-methylbenzo[b]xanthen-12-one;3-fluoro-9-methylbenzo[b]xanthen-12-one;4-fluoro-9-methylbenzo[b]xanthen-12-one is sourced from PubChem (CID 158589357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).