1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one

C18H16O2 — CID 134489869

IUPAC1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one
SMILESCc1ccc2c(c1)C(=C/C=C/c1ccco1)C(=O)CC2
InChIInChI=1S/C18H16O2/c1-13-7-8-14-9-10-18(19)16(17(14)12-13)6-2-4-15-5-3-11-20-15/h2-8,11-12H,9-10H2,1H3/b4-2+,16-6?
InChIKeyJWAQMYNOEUYGQY-RICCXNNOSA-N
MW264.32 g/mol
LogP4.20
Rot. Bonds2

About 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one

1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one (PubChem CID 134489869) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one
PubChem CID134489869
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one
SMILESCc1ccc2c(c1)C(=C/C=C/c1ccco1)C(=O)CC2
InChIInChI=1S/C18H16O2/c1-13-7-8-14-9-10-18(19)16(17(14)12-13)6-2-4-15-5-3-11-20-15/h2-8,11-12H,9-10H2,1H3/b4-2+,16-6?
InChIKeyJWAQMYNOEUYGQY-RICCXNNOSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one (CID 134489869) is 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one is Cc1ccc2c(c1)C(=C/C=C/c1ccco1)C(=O)CC2.
What is the InChIKey of 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one?
The InChIKey is JWAQMYNOEUYGQY-RICCXNNOSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-7-8-14-9-10-18(19)16(17(14)12-13)6-2-4-15-5-3-11-20-15/h2-8,11-12H,9-10H2,1H3/b4-2+,16-6?.
What are the key properties of 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one?
1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one has a molecular weight of 264.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 134489869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).