methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate

C14H12O3 — CID 102437216

IUPACmethyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
SMILESCOC(=O)c1cccc(/C=C/c2ccoc2)c1
InChIInChI=1S/C14H12O3/c1-16-14(15)13-4-2-3-11(9-13)5-6-12-7-8-17-10-12/h2-10H,1H3/b6-5+
InChIKeyPWOIENJYOPEQCL-AATRIKPKSA-N
MW228.25 g/mol
LogP3.24
Rot. Bonds3

About methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate

methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate (PubChem CID 102437216) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
PubChem CID102437216
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namemethyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
SMILESCOC(=O)c1cccc(/C=C/c2ccoc2)c1
InChIInChI=1S/C14H12O3/c1-16-14(15)13-4-2-3-11(9-13)5-6-12-7-8-17-10-12/h2-10H,1H3/b6-5+
InChIKeyPWOIENJYOPEQCL-AATRIKPKSA-N
XLogP3.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
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methyl (E)-3-(furan-3-yl)prop-2-enoate
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CID 70265363
CID 70265363
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate?
The IUPAC name of methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate (CID 102437216) is methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate?
The canonical SMILES for methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate is COC(=O)c1cccc(/C=C/c2ccoc2)c1.
What is the InChIKey of methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate?
The InChIKey is PWOIENJYOPEQCL-AATRIKPKSA-N. The full InChI is InChI=1S/C14H12O3/c1-16-14(15)13-4-2-3-11(9-13)5-6-12-7-8-17-10-12/h2-10H,1H3/b6-5+.
What are the key properties of methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate?
methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate has a molecular weight of 228.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate is sourced from PubChem (CID 102437216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).