(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate

C16H16O3 — CID 918034

IUPAC(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(C)c1ccccc1OC(=O)/C=C/c1ccco1
InChIInChI=1S/C16H16O3/c1-12(2)14-7-3-4-8-15(14)19-16(17)10-9-13-6-5-11-18-13/h3-12H,1-2H3/b10-9+
InChIKeyURSZHFGSDRYVPC-MDZDMXLPSA-N
MW256.30 g/mol
LogP4.02
Rot. Bonds4

About (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate

(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 918034) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID918034
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(C)c1ccccc1OC(=O)/C=C/c1ccco1
InChIInChI=1S/C16H16O3/c1-12(2)14-7-3-4-8-15(14)19-16(17)10-9-13-6-5-11-18-13/h3-12H,1-2H3/b10-9+
InChIKeyURSZHFGSDRYVPC-MDZDMXLPSA-N
XLogP4.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.02
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'}

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Related Compounds

(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 888865
(2-bromo-4-propan-2-ylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 3310676
(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 917922
(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 2397583
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506694
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860502
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
CID 2423576
[2-(1,3-benzothiazol-2-yl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7718933

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate (CID 918034) is (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate is CC(C)c1ccccc1OC(=O)/C=C/c1ccco1.
What is the InChIKey of (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is URSZHFGSDRYVPC-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(2)14-7-3-4-8-15(14)19-16(17)10-9-13-6-5-11-18-13/h3-12H,1-2H3/b10-9+.
What are the key properties of (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate?
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 256.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 918034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).