(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone

C16H11FO3 — CID 115766377

IUPAC(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H11FO3/c1-19-13-4-2-3-10(8-13)16(18)15-9-11-7-12(17)5-6-14(11)20-15/h2-9H,1H3
InChIKeyQUXMCNXYGIGZCA-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.81
Rot. Bonds3

About (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone

(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone (PubChem CID 115766377) has the molecular formula C16H11FO3 and a molecular weight of 270.26 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
PubChem CID115766377
Molecular FormulaC16H11FO3
Molecular Weight270.26 g/mol
Exact Mass270.07
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H11FO3/c1-19-13-4-2-3-10(8-13)16(18)15-9-11-7-12(17)5-6-14(11)20-15/h2-9H,1H3
InChIKeyQUXMCNXYGIGZCA-UHFFFAOYSA-N
XLogP3.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
CID 11551551
5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide
CID 86967824
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
1-benzofuran-2-yl-[3-(difluoromethoxy)phenyl]methanone
CID 43145532
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 155803415
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone (CID 115766377) is (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
The InChIKey is QUXMCNXYGIGZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3/c1-19-13-4-2-3-10(8-13)16(18)15-9-11-7-12(17)5-6-14(11)20-15/h2-9H,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone has a molecular weight of 270.26 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 115766377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).