4-phenoxathiin-4-ylphenol

C18H12O2S — CID 134915500

IUPAC4-phenoxathiin-4-ylphenol
SMILESOc1ccc(-c2cccc3c2Oc2ccccc2S3)cc1
InChIInChI=1S/C18H12O2S/c19-13-10-8-12(9-11-13)14-4-3-7-17-18(14)20-15-5-1-2-6-16(15)21-17/h1-11,19H
InChIKeyOYUYJLJOWPCEPT-UHFFFAOYSA-N
MW292.36 g/mol
LogP5.32
Rot. Bonds1

About 4-phenoxathiin-4-ylphenol

4-phenoxathiin-4-ylphenol (PubChem CID 134915500) has the molecular formula C18H12O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-phenoxathiin-4-ylphenol.

Molecular Properties

Compound Name4-phenoxathiin-4-ylphenol
PubChem CID134915500
Molecular FormulaC18H12O2S
Molecular Weight292.36 g/mol
Exact Mass292.06
IUPAC Name4-phenoxathiin-4-ylphenol
SMILESOc1ccc(-c2cccc3c2Oc2ccccc2S3)cc1
InChIInChI=1S/C18H12O2S/c19-13-10-8-12(9-11-13)14-4-3-7-17-18(14)20-15-5-1-2-6-16(15)21-17/h1-11,19H
InChIKeyOYUYJLJOWPCEPT-UHFFFAOYSA-N
XLogP5.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenoxathiin-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 118133947
2-chloro-5-phenoxathiin-4-ylpyrimidine
CID 88923607
1-phenoxathiin-4-ylnaphthalen-2-ol
CID 89495024
5-phenoxathiin-4-yl-2-triphenylen-2-ylpyrimidine
CID 88923208
4-[4-[4-phenoxathiin-4-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]phenoxathiine
CID 140831758
4-phenoxathiin-4-ylquinazolin-2-amine
CID 69186251
N-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-10,10-dimethyl-N-(4-phenoxathiin-4-ylphenyl)benzo[b][1,4]benzoxasilin-4-amine
CID 123880201
4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine
CID 88923617
4-(4-ethylphenyl)phenoxathiine;(3Z,5Z)-octa-3,5-dien-1-yne;toluene
CID 144578270
3-phenoxathiin-4-yl-5-(tetrazol-1-yl)benzoic acid
CID 118759246
N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-4-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenyl-N-(4-thianthren-1-ylphenyl)aniline
CID 159509314
1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 118081393

Frequently Asked Questions

What is the IUPAC name of 4-phenoxathiin-4-ylphenol?
The IUPAC name of 4-phenoxathiin-4-ylphenol (CID 134915500) is 4-phenoxathiin-4-ylphenol.
What is the SMILES notation for 4-phenoxathiin-4-ylphenol?
The canonical SMILES for 4-phenoxathiin-4-ylphenol is Oc1ccc(-c2cccc3c2Oc2ccccc2S3)cc1.
What is the InChIKey of 4-phenoxathiin-4-ylphenol?
The InChIKey is OYUYJLJOWPCEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2S/c19-13-10-8-12(9-11-13)14-4-3-7-17-18(14)20-15-5-1-2-6-16(15)21-17/h1-11,19H.
What are the key properties of 4-phenoxathiin-4-ylphenol?
4-phenoxathiin-4-ylphenol has a molecular weight of 292.36 g/mol, XLogP of 5.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxathiin-4-ylphenol is sourced from PubChem (CID 134915500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).