3-(furan-2-yl)prop-1-enyl benzoate

C14H12O3 — CID 57083610

IUPAC3-(furan-2-yl)prop-1-enyl benzoate
SMILESO=C(OC=CCc1ccco1)c1ccccc1
InChIInChI=1S/C14H12O3/c15-14(12-6-2-1-3-7-12)17-11-5-9-13-8-4-10-16-13/h1-8,10-11H,9H2
InChIKeyXKDUHCIIWPEYNV-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.19
Rot. Bonds4

About 3-(furan-2-yl)prop-1-enyl benzoate

3-(furan-2-yl)prop-1-enyl benzoate (PubChem CID 57083610) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-1-enyl benzoate.

Molecular Properties

Compound Name3-(furan-2-yl)prop-1-enyl benzoate
PubChem CID57083610
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3-(furan-2-yl)prop-1-enyl benzoate
SMILESO=C(OC=CCc1ccco1)c1ccccc1
InChIInChI=1S/C14H12O3/c15-14(12-6-2-1-3-7-12)17-11-5-9-13-8-4-10-16-13/h1-8,10-11H,9H2
InChIKeyXKDUHCIIWPEYNV-UHFFFAOYSA-N
XLogP3.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-pent-1-en-4-ynyl] benzoate
CID 101472042
4-(furan-2-yl)-2-phenylbut-2-enal
CID 174960857
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
[(1Z,3Z)-4-methoxybuta-1,3-dienyl] benzoate
CID 102600427
[(Z)-prop-1-enyl] benzoate
CID 11412549
(2E,4E)-5-benzoyloxypenta-2,4-dienoic acid
CID 12840355
2-methoxyethenyl benzoate
CID 68559568
2-(3-fluoroprop-2-enyl)furan
CID 175355088
2,3-dibenzoyloxy-4-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 3413465
4-(furan-2-yl)but-2-en-1-amine
CID 70478448
3,5,5-trimethylhex-1-enyl benzoate
CID 151994921
ethenyl benzoate
CID 158178912

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)prop-1-enyl benzoate?
The IUPAC name of 3-(furan-2-yl)prop-1-enyl benzoate (CID 57083610) is 3-(furan-2-yl)prop-1-enyl benzoate.
What is the SMILES notation for 3-(furan-2-yl)prop-1-enyl benzoate?
The canonical SMILES for 3-(furan-2-yl)prop-1-enyl benzoate is O=C(OC=CCc1ccco1)c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)prop-1-enyl benzoate?
The InChIKey is XKDUHCIIWPEYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-14(12-6-2-1-3-7-12)17-11-5-9-13-8-4-10-16-13/h1-8,10-11H,9H2.
What are the key properties of 3-(furan-2-yl)prop-1-enyl benzoate?
3-(furan-2-yl)prop-1-enyl benzoate has a molecular weight of 228.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-1-enyl benzoate is sourced from PubChem (CID 57083610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).