2-(thiophen-2-ylmethyl)naphthalen-1-ol

C15H12OS — CID 15617855

IUPAC2-(thiophen-2-ylmethyl)naphthalen-1-ol
SMILESOc1c(Cc2cccs2)ccc2ccccc12
InChIInChI=1S/C15H12OS/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-9,16H,10H2
InChIKeyHPJGETYZSVQVEO-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.20
Rot. Bonds2

About 2-(thiophen-2-ylmethyl)naphthalen-1-ol

2-(thiophen-2-ylmethyl)naphthalen-1-ol (PubChem CID 15617855) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)naphthalen-1-ol
PubChem CID15617855
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name2-(thiophen-2-ylmethyl)naphthalen-1-ol
SMILESOc1c(Cc2cccs2)ccc2ccccc12
InChIInChI=1S/C15H12OS/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-9,16H,10H2
InChIKeyHPJGETYZSVQVEO-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)naphthalen-1-ol?
The IUPAC name of 2-(thiophen-2-ylmethyl)naphthalen-1-ol (CID 15617855) is 2-(thiophen-2-ylmethyl)naphthalen-1-ol.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)naphthalen-1-ol?
The canonical SMILES for 2-(thiophen-2-ylmethyl)naphthalen-1-ol is Oc1c(Cc2cccs2)ccc2ccccc12.
What is the InChIKey of 2-(thiophen-2-ylmethyl)naphthalen-1-ol?
The InChIKey is HPJGETYZSVQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-9,16H,10H2.
What are the key properties of 2-(thiophen-2-ylmethyl)naphthalen-1-ol?
2-(thiophen-2-ylmethyl)naphthalen-1-ol has a molecular weight of 240.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)naphthalen-1-ol is sourced from PubChem (CID 15617855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).