(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone

C17H13FO3 — CID 114725880

IUPAC(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)ccc3o2)c(F)c1
InChIInChI=1S/C17H13FO3/c1-10-3-6-15-11(7-10)8-16(21-15)17(19)13-5-4-12(20-2)9-14(13)18/h3-9H,1-2H3
InChIKeyGFSPDNTWEWUBCI-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.12
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone

(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114725880) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID114725880
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)ccc3o2)c(F)c1
InChIInChI=1S/C17H13FO3/c1-10-3-6-15-11(7-10)8-16(21-15)17(19)13-5-4-12(20-2)9-14(13)18/h3-9H,1-2H3
InChIKeyGFSPDNTWEWUBCI-UHFFFAOYSA-N
XLogP4.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 114248875
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 114725880) is (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone is COc1ccc(C(=O)c2cc3cc(C)ccc3o2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is GFSPDNTWEWUBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO3/c1-10-3-6-15-11(7-10)8-16(21-15)17(19)13-5-4-12(20-2)9-14(13)18/h3-9H,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 284.29 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114725880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).