4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane

C20H18OS — CID 127050714

IUPAC4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane
SMILESc1csc(C(=C2CCOCC2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2
InChIKeyUVUHBWZHWRFZIV-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.51
Rot. Bonds2

About 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane

4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane (PubChem CID 127050714) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane.

Molecular Properties

Compound Name4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane
PubChem CID127050714
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Name4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane
SMILESc1csc(C(=C2CCOCC2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2
InChIKeyUVUHBWZHWRFZIV-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane?
The IUPAC name of 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane (CID 127050714) is 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane.
What is the SMILES notation for 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane?
The canonical SMILES for 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane is c1csc(C(=C2CCOCC2)c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane?
The InChIKey is UVUHBWZHWRFZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2.
What are the key properties of 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane?
4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane has a molecular weight of 306.43 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[naphthalen-2-yl(thiophen-2-yl)methylidene]oxane is sourced from PubChem (CID 127050714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).