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

C19H16O4 — CID 4556919

IUPAC1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C19H16O4/c1-21-15-9-7-13(18(12-15)22-2)8-10-16(20)19-11-14-5-3-4-6-17(14)23-19/h3-12H,1-2H3
InChIKeyUVICYJRROBMAPB-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.35
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one (PubChem CID 4556919) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
PubChem CID4556919
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C19H16O4/c1-21-15-9-7-13(18(12-15)22-2)8-10-16(20)19-11-14-5-3-4-6-17(14)23-19/h3-12H,1-2H3
InChIKeyUVICYJRROBMAPB-UHFFFAOYSA-N
XLogP4.35
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.35
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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Related Compounds

(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
CID 7947943
1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105
1-(1-benzofuran-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one
CID 4797263
(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one
CID 51135486
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
CID 6214918
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
[2-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 4-(difluoromethoxy)benzoate
CID 4689372
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6873936
2-[4-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 4812885

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one (CID 4556919) is 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one is COc1ccc(C=CC(=O)c2cc3ccccc3o2)c(OC)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
The InChIKey is UVICYJRROBMAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-21-15-9-7-13(18(12-15)22-2)8-10-16(20)19-11-14-5-3-4-6-17(14)23-19/h3-12H,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one has a molecular weight of 308.33 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 4556919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).