(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate

C20H16O3 — CID 2397583

IUPAC(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H16O3/c21-20(13-12-18-10-6-14-22-18)23-19-11-5-4-9-17(19)15-16-7-2-1-3-8-16/h1-14H,15H2/b13-12+
InChIKeyRMTSDUGVJWQDMA-OUKQBFOZSA-N
MW304.35 g/mol
LogP4.49
Rot. Bonds5

About (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate

(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2397583) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2397583
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H16O3/c21-20(13-12-18-10-6-14-22-18)23-19-11-5-4-9-17(19)15-16-7-2-1-3-8-16/h1-14H,15H2/b13-12+
InChIKeyRMTSDUGVJWQDMA-OUKQBFOZSA-N
XLogP4.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 888865
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
2-(2-benzylphenoxy)-2-oxoacetic acid
CID 141025614
(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
CID 2423576
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
[2-(1,3-benzothiazol-2-yl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7718933
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
[2-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 72974963
[4-[2,2-bis(4-aminophenyl)ethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 118554212
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate (CID 2397583) is (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C/c1ccco1)Oc1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is RMTSDUGVJWQDMA-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H16O3/c21-20(13-12-18-10-6-14-22-18)23-19-11-5-4-9-17(19)15-16-7-2-1-3-8-16/h1-14H,15H2/b13-12+.
What are the key properties of (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 304.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2397583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).