1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C20H18O5 — CID 4041105

IUPAC1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C20H18O5/c1-22-18-10-13(11-19(23-2)20(18)24-3)8-9-15(21)17-12-14-6-4-5-7-16(14)25-17/h4-12H,1-3H3
InChIKeyVFDLHRNLZKPQNI-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.35
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 4041105) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID4041105
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C20H18O5/c1-22-18-10-13(11-19(23-2)20(18)24-3)8-9-15(21)17-12-14-6-4-5-7-16(14)25-17/h4-12H,1-3H3
InChIKeyVFDLHRNLZKPQNI-UHFFFAOYSA-N
XLogP4.35
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 4812885
1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 4556919
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
CID 6214918
1-(1-benzofuran-2-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
CID 3972941
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-en-1-one
CID 6019404
1-(1-benzofuran-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one
CID 4797263
(E)-1-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 12701089
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
CID 8830594
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 30608478
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 4041105) is 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1cc(C=CC(=O)c2cc3ccccc3o2)cc(OC)c1OC.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is VFDLHRNLZKPQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-22-18-10-13(11-19(23-2)20(18)24-3)8-9-15(21)17-12-14-6-4-5-7-16(14)25-17/h4-12H,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 338.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 4041105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).