3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane

C19H22S — CID 144904524

IUPAC3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane
SMILESC1=Cc2ccc(-c3scc4c3CCC4)cc2CC1.CC
InChIInChI=1S/C17H16S.C2H6/c1-2-5-13-10-14(9-8-12(13)4-1)17-16-7-3-6-15(16)11-18-17;1-2/h1,4,8-11H,2-3,5-7H2;1-2H3
InChIKeyNXUJLOYPNUZWNC-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.89
Rot. Bonds1

About 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane

3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane (PubChem CID 144904524) has the molecular formula C19H22S and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane.

Molecular Properties

Compound Name3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane
PubChem CID144904524
Molecular FormulaC19H22S
Molecular Weight282.45 g/mol
Exact Mass282.14
IUPAC Name3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane
SMILESC1=Cc2ccc(-c3scc4c3CCC4)cc2CC1.CC
InChIInChI=1S/C17H16S.C2H6/c1-2-5-13-10-14(9-8-12(13)4-1)17-16-7-3-6-15(16)11-18-17;1-2/h1,4,8-11H,2-3,5-7H2;1-2H3
InChIKeyNXUJLOYPNUZWNC-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane?
The IUPAC name of 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane (CID 144904524) is 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane.
What is the SMILES notation for 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane?
The canonical SMILES for 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane is C1=Cc2ccc(-c3scc4c3CCC4)cc2CC1.CC.
What is the InChIKey of 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane?
The InChIKey is NXUJLOYPNUZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16S.C2H6/c1-2-5-13-10-14(9-8-12(13)4-1)17-16-7-3-6-15(16)11-18-17;1-2/h1,4,8-11H,2-3,5-7H2;1-2H3.
What are the key properties of 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane?
3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane has a molecular weight of 282.45 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane is sourced from PubChem (CID 144904524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).