(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone

C13H11FO3 — CID 43463289

IUPAC(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(C)o1
InChIInChI=1S/C13H11FO3/c1-8-3-5-12(17-8)13(15)10-7-9(14)4-6-11(10)16-2/h3-7H,1-2H3
InChIKeySTPZGRIYWUJXTD-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.97
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone

(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 43463289) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
PubChem CID43463289
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(C)o1
InChIInChI=1S/C13H11FO3/c1-8-3-5-12(17-8)13(15)10-7-9(14)4-6-11(10)16-2/h3-7H,1-2H3
InChIKeySTPZGRIYWUJXTD-UHFFFAOYSA-N
XLogP2.97
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 7148143
(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 55051059

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone (CID 43463289) is (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone is COc1ccc(F)cc1C(=O)c1ccc(C)o1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is STPZGRIYWUJXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c1-8-3-5-12(17-8)13(15)10-7-9(14)4-6-11(10)16-2/h3-7H,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 234.23 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).