(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone

C17H14O2 — CID 62344595

IUPAC(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone
SMILESCCc1ccc(C(=O)c2cccc3ccccc23)o1
InChIInChI=1S/C17H14O2/c1-2-13-10-11-16(19-13)17(18)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3
InChIKeyIMTYEXKQFKGDDO-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.23
Rot. Bonds3

About (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone

(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone (PubChem CID 62344595) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone
PubChem CID62344595
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone
SMILESCCc1ccc(C(=O)c2cccc3ccccc23)o1
InChIInChI=1S/C17H14O2/c1-2-13-10-11-16(19-13)17(18)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3
InChIKeyIMTYEXKQFKGDDO-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone (CID 62344595) is (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone is CCc1ccc(C(=O)c2cccc3ccccc23)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone?
The InChIKey is IMTYEXKQFKGDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-13-10-11-16(19-13)17(18)15-9-5-7-12-6-3-4-8-14(12)15/h3-11H,2H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone?
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone has a molecular weight of 250.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 62344595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).