naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone

C18H16O2 — CID 65151492

IUPACnaphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cccc3ccccc23)c1C
InChIInChI=1S/C18H16O2/c1-11-12(2)20-13(3)17(11)18(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,1-3H3
InChIKeyKUXDNXMRUVOPNJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.59
Rot. Bonds2

About naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone

naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65151492) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65151492
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Namenaphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cccc3ccccc23)c1C
InChIInChI=1S/C18H16O2/c1-11-12(2)20-13(3)17(11)18(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,1-3H3
InChIKeyKUXDNXMRUVOPNJ-UHFFFAOYSA-N
XLogP4.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 115808396
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone
CID 114282561
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone
CID 62344595
(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151683
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 46636577
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 46641426

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone (CID 65151492) is naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2cccc3ccccc23)c1C.
What is the InChIKey of naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is KUXDNXMRUVOPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-11-12(2)20-13(3)17(11)18(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,1-3H3.
What are the key properties of naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone?
naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65151492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).