3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid

C13H12O3 — CID 70199150

IUPAC3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid
SMILESO=C(O)C=CC1C=CC(c2ccccc2)O1
InChIInChI=1S/C13H12O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9,11-12H,(H,14,15)
InChIKeyKKRFSTOBMYTMEA-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.32
Rot. Bonds3

About 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid

3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid (PubChem CID 70199150) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid
PubChem CID70199150
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid
SMILESO=C(O)C=CC1C=CC(c2ccccc2)O1
InChIInChI=1S/C13H12O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9,11-12H,(H,14,15)
InChIKeyKKRFSTOBMYTMEA-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid (CID 70199150) is 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid is O=C(O)C=CC1C=CC(c2ccccc2)O1.
What is the InChIKey of 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid?
The InChIKey is KKRFSTOBMYTMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9,11-12H,(H,14,15).
What are the key properties of 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid?
3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-2,5-dihydrofuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 70199150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).