methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate

C15H12O4 — CID 162787655

IUPACmethyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)cc(/C=C/c2ccccc2)o1
InChIInChI=1S/C15H12O4/c1-18-15(17)14-10-12(16)9-13(19-14)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKeyXSMPJZNMQHVJNS-BQYQJAHWSA-N
MW256.26 g/mol
LogP2.60
Rot. Bonds3

About methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate

methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate (PubChem CID 162787655) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate
PubChem CID162787655
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Namemethyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)cc(/C=C/c2ccccc2)o1
InChIInChI=1S/C15H12O4/c1-18-15(17)14-10-12(16)9-13(19-14)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKeyXSMPJZNMQHVJNS-BQYQJAHWSA-N
XLogP2.60
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate
CID 162787640
2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
ethyl 2-diazo-2-[4-oxo-6-[(E)-2-phenylethenyl]pyran-2-yl]acetate
CID 164686478
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
[2-oxo-6-[(E)-2-phenylethenyl]pyran-4-yl] butanoate
CID 5376076
methyl 4,5,6,7-tetraphenyl-1-benzofuran-2-carboxylate
CID 162398645
methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate
CID 11043032
acetic acid;stilbene
CID 172803728
methyl 5-[(E)-1,1-difluoro-4-phenylbut-3-enyl]furan-2-carboxylate
CID 162405883
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate?
The IUPAC name of methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate (CID 162787655) is methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate?
The canonical SMILES for methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate is COC(=O)c1cc(=O)cc(/C=C/c2ccccc2)o1.
What is the InChIKey of methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate?
The InChIKey is XSMPJZNMQHVJNS-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-15(17)14-10-12(16)9-13(19-14)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+.
What are the key properties of methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate?
methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate is sourced from PubChem (CID 162787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).