1-(3-chlorophenyl)sulfanylnaphthalen-2-ol

C16H11ClOS — CID 172795300

IUPAC1-(3-chlorophenyl)sulfanylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1Sc1cccc(Cl)c1
InChIInChI=1S/C16H11ClOS/c17-12-5-3-6-13(10-12)19-16-14-7-2-1-4-11(14)8-9-15(16)18/h1-10,18H
InChIKeyQCUALDXPHKDFDD-UHFFFAOYSA-N
MW286.78 g/mol
LogP5.35
Rot. Bonds2

About 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol

1-(3-chlorophenyl)sulfanylnaphthalen-2-ol (PubChem CID 172795300) has the molecular formula C16H11ClOS and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanylnaphthalen-2-ol
PubChem CID172795300
Molecular FormulaC16H11ClOS
Molecular Weight286.78 g/mol
Exact Mass286.02
IUPAC Name1-(3-chlorophenyl)sulfanylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1Sc1cccc(Cl)c1
InChIInChI=1S/C16H11ClOS/c17-12-5-3-6-13(10-12)19-16-14-7-2-1-4-11(14)8-9-15(16)18/h1-10,18H
InChIKeyQCUALDXPHKDFDD-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.78
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol?
The IUPAC name of 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol (CID 172795300) is 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol is Oc1ccc2ccccc2c1Sc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol?
The InChIKey is QCUALDXPHKDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClOS/c17-12-5-3-6-13(10-12)19-16-14-7-2-1-4-11(14)8-9-15(16)18/h1-10,18H.
What are the key properties of 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol?
1-(3-chlorophenyl)sulfanylnaphthalen-2-ol has a molecular weight of 286.78 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanylnaphthalen-2-ol is sourced from PubChem (CID 172795300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).