propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

C14H16O3 — CID 112725026

IUPACpropyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESCCCOC(=O)C=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C14H16O3/c1-2-8-17-14(15)6-4-11-3-5-13-12(10-11)7-9-16-13/h3-6,10H,2,7-9H2,1H3
InChIKeyGQNMSYHALVWZLA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.59
Rot. Bonds4

About propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (PubChem CID 112725026) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.

Molecular Properties

Compound Namepropyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
PubChem CID112725026
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namepropyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESCCCOC(=O)C=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C14H16O3/c1-2-8-17-14(15)6-4-11-3-5-13-12(10-11)7-9-16-13/h3-6,10H,2,7-9H2,1H3
InChIKeyGQNMSYHALVWZLA-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 71897620
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 75365187
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325
methyl 2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-ethylamino]acetate
CID 76899075
propyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 19177097
propyl (E)-3-(3,4-difluorophenyl)prop-2-enoate
CID 141353403
ethyl 2-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-oxobutanoate
CID 162719034
2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-methylamino]butanoic acid
CID 76930433
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712

Frequently Asked Questions

What is the IUPAC name of propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The IUPAC name of propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (CID 112725026) is propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.
What is the SMILES notation for propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The canonical SMILES for propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is CCCOC(=O)C=Cc1ccc2c(c1)CCO2.
What is the InChIKey of propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The InChIKey is GQNMSYHALVWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-8-17-14(15)6-4-11-3-5-13-12(10-11)7-9-16-13/h3-6,10H,2,7-9H2,1H3.
What are the key properties of propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is sourced from PubChem (CID 112725026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).