(E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

C15H14O4 — CID 71680379

IUPAC(E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCOc1cccc(OC)c1C(=O)/C=C/c1ccco1
InChIInChI=1S/C15H14O4/c1-17-13-6-3-7-14(18-2)15(13)12(16)9-8-11-5-4-10-19-11/h3-10H,1-2H3/b9-8+
InChIKeyOGJQMNRBIMMIQX-CMDGGOBGSA-N
MW258.27 g/mol
LogP3.19
Rot. Bonds5

About (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 71680379) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID71680379
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCOc1cccc(OC)c1C(=O)/C=C/c1ccco1
InChIInChI=1S/C15H14O4/c1-17-13-6-3-7-14(18-2)15(13)12(16)9-8-11-5-4-10-19-11/h3-10H,1-2H3/b9-8+
InChIKeyOGJQMNRBIMMIQX-CMDGGOBGSA-N
XLogP3.19
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 71680379) is (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is COc1cccc(OC)c1C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is OGJQMNRBIMMIQX-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-13-6-3-7-14(18-2)15(13)12(16)9-8-11-5-4-10-19-11/h3-10H,1-2H3/b9-8+.
What are the key properties of (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 258.27 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dimethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 71680379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).