1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone

C17H14O2 — CID 61054883

IUPAC1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
SMILESCc1ccc(C(=O)Cc2cccc3ccccc23)o1
InChIInChI=1S/C17H14O2/c1-12-9-10-17(19-12)16(18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3
InChIKeyFZDLNKFUEZMWIO-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.17
Rot. Bonds3

About 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone

1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone (PubChem CID 61054883) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
PubChem CID61054883
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
SMILESCc1ccc(C(=O)Cc2cccc3ccccc23)o1
InChIInChI=1S/C17H14O2/c1-12-9-10-17(19-12)16(18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3
InChIKeyFZDLNKFUEZMWIO-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
1-(5-methylfuran-2-yl)-2-(2-nitrophenyl)ethanone
CID 61055874
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6011240
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
1-[5-(naphthalen-1-ylmethyl)furan-2-yl]ethanone
CID 66788789
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
1-naphthalen-1-ylbutan-2-one
CID 4564544
1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 155671739

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone (CID 61054883) is 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone is Cc1ccc(C(=O)Cc2cccc3ccccc23)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone?
The InChIKey is FZDLNKFUEZMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-12-9-10-17(19-12)16(18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone?
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 61054883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).