1-phenoxathiin-4-ylnaphthalen-2-ol

C22H14O2S — CID 89495024

IUPAC1-phenoxathiin-4-ylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cccc2c1Oc1ccccc1S2
InChIInChI=1S/C22H14O2S/c23-17-13-12-14-6-1-2-7-15(14)21(17)16-8-5-11-20-22(16)24-18-9-3-4-10-19(18)25-20/h1-13,23H
InChIKeyGATMHLBGAXSXPD-UHFFFAOYSA-N
MW342.42 g/mol
LogP6.47
Rot. Bonds1

About 1-phenoxathiin-4-ylnaphthalen-2-ol

1-phenoxathiin-4-ylnaphthalen-2-ol (PubChem CID 89495024) has the molecular formula C22H14O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-phenoxathiin-4-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-phenoxathiin-4-ylnaphthalen-2-ol
PubChem CID89495024
Molecular FormulaC22H14O2S
Molecular Weight342.42 g/mol
Exact Mass342.07
IUPAC Name1-phenoxathiin-4-ylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cccc2c1Oc1ccccc1S2
InChIInChI=1S/C22H14O2S/c23-17-13-12-14-6-1-2-7-15(14)21(17)16-8-5-11-20-22(16)24-18-9-3-4-10-19(18)25-20/h1-13,23H
InChIKeyGATMHLBGAXSXPD-UHFFFAOYSA-N
XLogP6.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxathiin-4-ylnaphthalen-2-ol?
The IUPAC name of 1-phenoxathiin-4-ylnaphthalen-2-ol (CID 89495024) is 1-phenoxathiin-4-ylnaphthalen-2-ol.
What is the SMILES notation for 1-phenoxathiin-4-ylnaphthalen-2-ol?
The canonical SMILES for 1-phenoxathiin-4-ylnaphthalen-2-ol is Oc1ccc2ccccc2c1-c1cccc2c1Oc1ccccc1S2.
What is the InChIKey of 1-phenoxathiin-4-ylnaphthalen-2-ol?
The InChIKey is GATMHLBGAXSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O2S/c23-17-13-12-14-6-1-2-7-15(14)21(17)16-8-5-11-20-22(16)24-18-9-3-4-10-19(18)25-20/h1-13,23H.
What are the key properties of 1-phenoxathiin-4-ylnaphthalen-2-ol?
1-phenoxathiin-4-ylnaphthalen-2-ol has a molecular weight of 342.42 g/mol, XLogP of 6.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxathiin-4-ylnaphthalen-2-ol is sourced from PubChem (CID 89495024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).