1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one

C15H15FO3 — CID 53415620

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(C)o2)cc1F
InChIInChI=1S/C15H15FO3/c1-10-3-5-12(19-10)6-7-14(17)11-4-8-15(18-2)13(16)9-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWNRBUULBJLSWSW-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.55
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one

1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one (PubChem CID 53415620) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
PubChem CID53415620
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(C)o2)cc1F
InChIInChI=1S/C15H15FO3/c1-10-3-5-12(19-10)6-7-14(17)11-4-8-15(18-2)13(16)9-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWNRBUULBJLSWSW-UHFFFAOYSA-N
XLogP3.55
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 86906483
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
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CID 65096259
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
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CID 116571948
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one (CID 53415620) is 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one is COc1ccc(C(=O)CCc2ccc(C)o2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is WNRBUULBJLSWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c1-10-3-5-12(19-10)6-7-14(17)11-4-8-15(18-2)13(16)9-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one?
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 262.28 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 53415620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).