4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one

C18H14O3 — CID 57325498

IUPAC4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2cccc3ccccc23)oc(=O)c1
InChIInChI=1S/C18H14O3/c1-20-16-11-15(21-18(19)12-16)10-9-14-7-4-6-13-5-2-3-8-17(13)14/h2-12H,1H3/b10-9+
InChIKeyRYGXLCMLRSWYBS-MDZDMXLPSA-N
MW278.31 g/mol
LogP3.97
Rot. Bonds3

About 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one

4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one (PubChem CID 57325498) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one
PubChem CID57325498
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2cccc3ccccc23)oc(=O)c1
InChIInChI=1S/C18H14O3/c1-20-16-11-15(21-18(19)12-16)10-9-14-7-4-6-13-5-2-3-8-17(13)14/h2-12H,1H3/b10-9+
InChIKeyRYGXLCMLRSWYBS-MDZDMXLPSA-N
XLogP3.97
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Pyran-2-one, 6-[2-E-(3-tolyl)ethenyl]-4-methoxy-
CID 5377029
2H-Pyran-2-one, 6-[2-E-(2-tolyl)ethenyl]-4-methoxy-
CID 5377036
2H-Pyran-2-one, 6-[2-E-(3-ethylphenyl)ethenyl]-4-methoxy-
CID 5377448
2-(Naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one
CID 56658285
(E)-3-Acetoxy-4-(1'-naphthylmethylidene)cyclodeca-1,5-diyne
CID 10381849
[(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-yl] acetate
CID 10426650
Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate
CID 736716
2,2-Dimethyl-5-(1-naphthylmethylene)-1,3-dioxane-4,6-dione
CID 4349576
2-Propenoic acid, 3-(2-naphthalenyl)-, ethyl ester
CID 4454398
6-(naphthalen-1-yl)-2H-pyran-2-one
CID 746192
4-methoxy-6-[(E)-2-(2-naphthyl)vinyl]pyran-2-one
CID 57325499
ethyl (2E,4E,6E,8E)-8-(3,4-dihydro-2H-naphthalen-1-ylidene)-3,7-dimethylocta-2,4,6-trienoate
CID 10710983

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one (CID 57325498) is 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one is COc1cc(/C=C/c2cccc3ccccc23)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one?
The InChIKey is RYGXLCMLRSWYBS-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-16-11-15(21-18(19)12-16)10-9-14-7-4-6-13-5-2-3-8-17(13)14/h2-12H,1H3/b10-9+.
What are the key properties of 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-2-naphthalen-1-ylethenyl]pyran-2-one is sourced from PubChem (CID 57325498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).