(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone

C15H15FO4 — CID 114726210

IUPAC(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
SMILESCOC1(C(=O)c2cc3cccc(F)c3o2)CCOCC1
InChIInChI=1S/C15H15FO4/c1-18-15(5-7-19-8-6-15)14(17)12-9-10-3-2-4-11(16)13(10)20-12/h2-4,9H,5-8H2,1H3
InChIKeyYKYLEODEYJLWFB-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.95
Rot. Bonds3

About (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone

(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone (PubChem CID 114726210) has the molecular formula C15H15FO4 and a molecular weight of 278.28 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
PubChem CID114726210
Molecular FormulaC15H15FO4
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
SMILESCOC1(C(=O)c2cc3cccc(F)c3o2)CCOCC1
InChIInChI=1S/C15H15FO4/c1-18-15(5-7-19-8-6-15)14(17)12-9-10-3-2-4-11(16)13(10)20-12/h2-4,9H,5-8H2,1H3
InChIKeyYKYLEODEYJLWFB-UHFFFAOYSA-N
XLogP2.95
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111486301
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114736767
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
CID 116748760
1-(7-fluoro-1-benzofuran-2-yl)-4-methoxybutan-1-one
CID 114725347
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone (CID 114726210) is (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone is COC1(C(=O)c2cc3cccc(F)c3o2)CCOCC1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone?
The InChIKey is YKYLEODEYJLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO4/c1-18-15(5-7-19-8-6-15)14(17)12-9-10-3-2-4-11(16)13(10)20-12/h2-4,9H,5-8H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone has a molecular weight of 278.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone is sourced from PubChem (CID 114726210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).