(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one

C21H18O4 — CID 51135486

IUPAC(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)c2c(c1)CC(C)O2
InChIInChI=1S/C21H18O4/c1-13-9-16-11-17(23-2)10-15(21(16)24-13)7-8-18(22)20-12-14-5-3-4-6-19(14)25-20/h3-8,10-13H,9H2,1-2H3/b8-7+
InChIKeyYPBDJPABXLSYNC-BQYQJAHWSA-N
MW334.37 g/mol
LogP4.66
Rot. Bonds4

About (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one

(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one (PubChem CID 51135486) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one
PubChem CID51135486
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)c2c(c1)CC(C)O2
InChIInChI=1S/C21H18O4/c1-13-9-16-11-17(23-2)10-15(21(16)24-13)7-8-18(22)20-12-14-5-3-4-6-19(14)25-20/h3-8,10-13H,9H2,1-2H3/b8-7+
InChIKeyYPBDJPABXLSYNC-BQYQJAHWSA-N
XLogP4.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.66
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

1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 4556919
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-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
CID 6214918
(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
CID 7947943
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
(E)-1-(1-benzofuran-2-yl)-3-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 11587472
1-(1-benzofuran-2-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
CID 3972941
[2-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 4-(difluoromethoxy)benzoate
CID 4689372
(E)-3-(2,5-dimethoxyphenyl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one
CID 7649118
1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 3907215
(E)-3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one
CID 6288850

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one?
The IUPAC name of (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) is (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one is COc1cc(/C=C/C(=O)c2cc3ccccc3o2)c2c(c1)CC(C)O2.
What is the InChIKey of (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one?
The InChIKey is YPBDJPABXLSYNC-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H18O4/c1-13-9-16-11-17(23-2)10-15(21(16)24-13)7-8-18(22)20-12-14-5-3-4-6-19(14)25-20/h3-8,10-13H,9H2,1-2H3/b8-7+.
What are the key properties of (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one?
(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one has a molecular weight of 334.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one is sourced from PubChem (CID 51135486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).