9-(4-methoxyphenyl)sulfanylanthracene

C21H16OS — CID 134961540

IUPAC9-(4-methoxyphenyl)sulfanylanthracene
SMILESCOc1ccc(Sc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C21H16OS/c1-22-17-10-12-18(13-11-17)23-21-19-8-4-2-6-15(19)14-16-7-3-5-9-20(16)21/h2-14H,1H3
InChIKeyPEXIWPPBBZIBLG-UHFFFAOYSA-N
MW316.43 g/mol
LogP6.15
Rot. Bonds3

About 9-(4-methoxyphenyl)sulfanylanthracene

9-(4-methoxyphenyl)sulfanylanthracene (PubChem CID 134961540) has the molecular formula C21H16OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)sulfanylanthracene.

Molecular Properties

Compound Name9-(4-methoxyphenyl)sulfanylanthracene
PubChem CID134961540
Molecular FormulaC21H16OS
Molecular Weight316.43 g/mol
Exact Mass316.09
IUPAC Name9-(4-methoxyphenyl)sulfanylanthracene
SMILESCOc1ccc(Sc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C21H16OS/c1-22-17-10-12-18(13-11-17)23-21-19-8-4-2-6-15(19)14-16-7-3-5-9-20(16)21/h2-14H,1H3
InChIKeyPEXIWPPBBZIBLG-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxyphenyl 4-methoxy-1-naphthyl sulfone
CID 16226212
1-Methoxy-4-(4-methoxyphenyl)sulfanyl-naphthalene
CID 16226418
1,4-Bis[(4-methoxyphenyl)sulfonylmethyl]naphthalene
CID 156015564
(4-Methoxyphenyl)(naphthalen-2-yl)sulfane
CID 14813922
2-(4-Methoxyphenyl)sulfanyl-1,3-dimethylbenzene
CID 21680553
1-(4-Fluorophenyl)-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 139249063
2-Fluoro-4-[1-(4-methoxyphenyl)sulfanylethyl]-1-phenylbenzene
CID 162411947
(R)-(1,1-difluoro-5-(naphthalen-1-yl)pent-1-en-3-yl)(4-methoxyphenyl)sulfane
CID 162623271
(Z)-(1,1-difluoro-5-(naphthalen-1-yl)pent-2-en-2-yl)(4-methoxyphenyl)sulfane
CID 162623284
1-(2,2-Diphenyl-1-phenylsulfanylethenyl)-4-methoxybenzene
CID 101602174
1-Methoxy-4-(2-propan-2-ylphenyl)sulfanylbenzene
CID 15456663
1-(4-Methoxyphenyl)sulfanylnaphthalene
CID 85824979

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)sulfanylanthracene?
The IUPAC name of 9-(4-methoxyphenyl)sulfanylanthracene (CID 134961540) is 9-(4-methoxyphenyl)sulfanylanthracene.
What is the SMILES notation for 9-(4-methoxyphenyl)sulfanylanthracene?
The canonical SMILES for 9-(4-methoxyphenyl)sulfanylanthracene is COc1ccc(Sc2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)sulfanylanthracene?
The InChIKey is PEXIWPPBBZIBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16OS/c1-22-17-10-12-18(13-11-17)23-21-19-8-4-2-6-15(19)14-16-7-3-5-9-20(16)21/h2-14H,1H3.
What are the key properties of 9-(4-methoxyphenyl)sulfanylanthracene?
9-(4-methoxyphenyl)sulfanylanthracene has a molecular weight of 316.43 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)sulfanylanthracene is sourced from PubChem (CID 134961540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).