6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol

C14H12OS — CID 139678964

IUPAC6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol
SMILESOC1CC=Cc2cc(-c3cccs3)ccc21
InChIInChI=1S/C14H12OS/c15-13-4-1-3-10-9-11(6-7-12(10)13)14-5-2-8-16-14/h1-3,5-9,13,15H,4H2
InChIKeyBNWMICCAQMRYCF-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.87
Rot. Bonds1

About 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol

6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol (PubChem CID 139678964) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol
PubChem CID139678964
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol
SMILESOC1CC=Cc2cc(-c3cccs3)ccc21
InChIInChI=1S/C14H12OS/c15-13-4-1-3-10-9-11(6-7-12(10)13)14-5-2-8-16-14/h1-3,5-9,13,15H,4H2
InChIKeyBNWMICCAQMRYCF-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol (CID 139678964) is 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol is OC1CC=Cc2cc(-c3cccs3)ccc21.
What is the InChIKey of 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol?
The InChIKey is BNWMICCAQMRYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c15-13-4-1-3-10-9-11(6-7-12(10)13)14-5-2-8-16-14/h1-3,5-9,13,15H,4H2.
What are the key properties of 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol?
6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol has a molecular weight of 228.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 139678964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).