9-(3-methylphenyl)thioxanthen-9-ol

C20H16OS — CID 11034056

IUPAC9-(3-methylphenyl)thioxanthen-9-ol
SMILESCc1cccc(C2(O)c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H16OS/c1-14-7-6-8-15(13-14)20(21)16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2-13,21H,1H3
InChIKeyFGMPUQBJYAPYHB-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.74
Rot. Bonds1

About 9-(3-methylphenyl)thioxanthen-9-ol

9-(3-methylphenyl)thioxanthen-9-ol (PubChem CID 11034056) has the molecular formula C20H16OS and a molecular weight of 304.41 g/mol. Its IUPAC name is 9-(3-methylphenyl)thioxanthen-9-ol.

Molecular Properties

Compound Name9-(3-methylphenyl)thioxanthen-9-ol
PubChem CID11034056
Molecular FormulaC20H16OS
Molecular Weight304.41 g/mol
Exact Mass304.09
IUPAC Name9-(3-methylphenyl)thioxanthen-9-ol
SMILESCc1cccc(C2(O)c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H16OS/c1-14-7-6-8-15(13-14)20(21)16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2-13,21H,1H3
InChIKeyFGMPUQBJYAPYHB-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)thioxanthen-9-ol?
The IUPAC name of 9-(3-methylphenyl)thioxanthen-9-ol (CID 11034056) is 9-(3-methylphenyl)thioxanthen-9-ol.
What is the SMILES notation for 9-(3-methylphenyl)thioxanthen-9-ol?
The canonical SMILES for 9-(3-methylphenyl)thioxanthen-9-ol is Cc1cccc(C2(O)c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 9-(3-methylphenyl)thioxanthen-9-ol?
The InChIKey is FGMPUQBJYAPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16OS/c1-14-7-6-8-15(13-14)20(21)16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2-13,21H,1H3.
What are the key properties of 9-(3-methylphenyl)thioxanthen-9-ol?
9-(3-methylphenyl)thioxanthen-9-ol has a molecular weight of 304.41 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)thioxanthen-9-ol is sourced from PubChem (CID 11034056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).