9-methoxy-1-phenyl-9H-thioxanthene

C20H16OS — CID 91278468

IUPAC9-methoxy-1-phenyl-9H-thioxanthene
SMILESCOC1c2ccccc2Sc2cccc(-c3ccccc3)c21
InChIInChI=1S/C20H16OS/c1-21-20-16-10-5-6-12-17(16)22-18-13-7-11-15(19(18)20)14-8-3-2-4-9-14/h2-13,20H,1H3
InChIKeyCHBJRJXUIZMBPK-UHFFFAOYSA-N
MW304.41 g/mol
LogP5.55
Rot. Bonds2

About 9-methoxy-1-phenyl-9H-thioxanthene

9-methoxy-1-phenyl-9H-thioxanthene (PubChem CID 91278468) has the molecular formula C20H16OS and a molecular weight of 304.41 g/mol. Its IUPAC name is 9-methoxy-1-phenyl-9H-thioxanthene.

Molecular Properties

Compound Name9-methoxy-1-phenyl-9H-thioxanthene
PubChem CID91278468
Molecular FormulaC20H16OS
Molecular Weight304.41 g/mol
Exact Mass304.09
IUPAC Name9-methoxy-1-phenyl-9H-thioxanthene
SMILESCOC1c2ccccc2Sc2cccc(-c3ccccc3)c21
InChIInChI=1S/C20H16OS/c1-21-20-16-10-5-6-12-17(16)22-18-13-7-11-15(19(18)20)14-8-3-2-4-9-14/h2-13,20H,1H3
InChIKeyCHBJRJXUIZMBPK-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-dimethoxy-2-methyl-3-phenyl-1H-indene
CID 101034746
2-methoxy-1,3-diphenylbenzene
CID 23524590
4',5'-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698141
9H-thioxanthene-1,9-diol
CID 71345506
6-chloro-6H-benzo[b][1]benzothiepin-5-one
CID 69155112
3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 15710100
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
10-ethyl-11-methoxy-6,11-dihydrobenzo[c][1]benzothiepine;10-(hydroxymethyl)-6,11-dihydrobenzo[c][1]benzothiepin-11-ol
CID 159277487
2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol
CID 118321734
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 10912160
1-phenyl-2-[2-[2-(2-phenylphenyl)phenoxy]phenyl]benzene
CID 67263079

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1-phenyl-9H-thioxanthene?
The IUPAC name of 9-methoxy-1-phenyl-9H-thioxanthene (CID 91278468) is 9-methoxy-1-phenyl-9H-thioxanthene.
What is the SMILES notation for 9-methoxy-1-phenyl-9H-thioxanthene?
The canonical SMILES for 9-methoxy-1-phenyl-9H-thioxanthene is COC1c2ccccc2Sc2cccc(-c3ccccc3)c21.
What is the InChIKey of 9-methoxy-1-phenyl-9H-thioxanthene?
The InChIKey is CHBJRJXUIZMBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16OS/c1-21-20-16-10-5-6-12-17(16)22-18-13-7-11-15(19(18)20)14-8-3-2-4-9-14/h2-13,20H,1H3.
What are the key properties of 9-methoxy-1-phenyl-9H-thioxanthene?
9-methoxy-1-phenyl-9H-thioxanthene has a molecular weight of 304.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1-phenyl-9H-thioxanthene is sourced from PubChem (CID 91278468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).