5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one

C14H14O3 — CID 71770302

IUPAC5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one
SMILESCOc1cccc(/C=C/C2(C)C=CC(=O)O2)c1
InChIInChI=1S/C14H14O3/c1-14(9-7-13(15)17-14)8-6-11-4-3-5-12(10-11)16-2/h3-10H,1-2H3/b8-6+
InChIKeyFWALQFUNQODNSL-SOFGYWHQSA-N
MW230.26 g/mol
LogP2.58
Rot. Bonds3

About 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one

5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one (PubChem CID 71770302) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one.

Molecular Properties

Compound Name5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one
PubChem CID71770302
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one
SMILESCOc1cccc(/C=C/C2(C)C=CC(=O)O2)c1
InChIInChI=1S/C14H14O3/c1-14(9-7-13(15)17-14)8-6-11-4-3-5-12(10-11)16-2/h3-10H,1-2H3/b8-6+
InChIKeyFWALQFUNQODNSL-SOFGYWHQSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
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4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
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5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
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[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
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CID 172849383
CID 172849383

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one?
The IUPAC name of 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one (CID 71770302) is 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one.
What is the SMILES notation for 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one?
The canonical SMILES for 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one is COc1cccc(/C=C/C2(C)C=CC(=O)O2)c1.
What is the InChIKey of 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one?
The InChIKey is FWALQFUNQODNSL-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H14O3/c1-14(9-7-13(15)17-14)8-6-11-4-3-5-12(10-11)16-2/h3-10H,1-2H3/b8-6+.
What are the key properties of 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one?
5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one is sourced from PubChem (CID 71770302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).