1-chloro-4-propoxy-9H-thioxanthen-9-ol

C16H15ClO2S — CID 18791153

IUPAC1-chloro-4-propoxy-9H-thioxanthen-9-ol
SMILESCCCOc1ccc(Cl)c2c1Sc1ccccc1C2O
InChIInChI=1S/C16H15ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8,15,18H,2,9H2,1H3
InChIKeyVBNPGGYFESUHFI-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.68
Rot. Bonds3

About 1-chloro-4-propoxy-9H-thioxanthen-9-ol

1-chloro-4-propoxy-9H-thioxanthen-9-ol (PubChem CID 18791153) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-chloro-4-propoxy-9H-thioxanthen-9-ol.

Molecular Properties

Compound Name1-chloro-4-propoxy-9H-thioxanthen-9-ol
PubChem CID18791153
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name1-chloro-4-propoxy-9H-thioxanthen-9-ol
SMILESCCCOc1ccc(Cl)c2c1Sc1ccccc1C2O
InChIInChI=1S/C16H15ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8,15,18H,2,9H2,1H3
InChIKeyVBNPGGYFESUHFI-UHFFFAOYSA-N
XLogP4.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propoxy-9H-thioxanthen-9-ol?
The IUPAC name of 1-chloro-4-propoxy-9H-thioxanthen-9-ol (CID 18791153) is 1-chloro-4-propoxy-9H-thioxanthen-9-ol.
What is the SMILES notation for 1-chloro-4-propoxy-9H-thioxanthen-9-ol?
The canonical SMILES for 1-chloro-4-propoxy-9H-thioxanthen-9-ol is CCCOc1ccc(Cl)c2c1Sc1ccccc1C2O.
What is the InChIKey of 1-chloro-4-propoxy-9H-thioxanthen-9-ol?
The InChIKey is VBNPGGYFESUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8,15,18H,2,9H2,1H3.
What are the key properties of 1-chloro-4-propoxy-9H-thioxanthen-9-ol?
1-chloro-4-propoxy-9H-thioxanthen-9-ol has a molecular weight of 306.81 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propoxy-9H-thioxanthen-9-ol is sourced from PubChem (CID 18791153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).