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

C18H14O3 — CID 57325499

IUPAC4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccc3ccccc3c2)oc(=O)c1
InChIInChI=1S/C18H14O3/c1-20-17-11-16(21-18(19)12-17)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-12H,1H3/b9-7+
InChIKeyVAGMONAMFIQZIK-VQHVLOKHSA-N
MW278.31 g/mol
LogP3.97
Rot. Bonds3

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

4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one (PubChem CID 57325499) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one
PubChem CID57325499
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2ccc3ccccc3c2)oc(=O)c1
InChIInChI=1S/C18H14O3/c1-20-17-11-16(21-18(19)12-17)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-12H,1H3/b9-7+
InChIKeyVAGMONAMFIQZIK-VQHVLOKHSA-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

Nigerapyrone B
CID 53483952
nigerapyrone A
CID 53493727
(2R)-2-(2-methylnaphthalen-1-yl)-2,3-dihydropyran-6-one
CID 44570285
(2R)-2-(4-methylnaphthalen-1-yl)-2,3-dihydropyran-6-one
CID 44570286
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
(2E,4E,6E)-7-(5,8-dimethylnaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
CID 44371691
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
6-[(E)-2-(4-tert-butylphenyl)vinyl]-4-methoxy-pyran-2-one
CID 57402320
6-[(E)-2-(4-ethylphenyl)ethenyl]-4-methoxypyran-2-one
CID 132575136

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one (CID 57325499) is 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one is COc1cc(/C=C/c2ccc3ccccc3c2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one?
The InChIKey is VAGMONAMFIQZIK-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-17-11-16(21-18(19)12-17)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-12H,1H3/b9-7+.
What are the key properties of 4-methoxy-6-[(E)-2-naphthalen-2-ylethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-naphthalen-2-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-2-ylethenyl]pyran-2-one is sourced from PubChem (CID 57325499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).