1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one

C14H13FO2 — CID 105095849

IUPAC1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
SMILESCc1cc(C(=O)CCc2ccco2)ccc1F
InChIInChI=1S/C14H13FO2/c1-10-9-11(4-6-13(10)15)14(16)7-5-12-3-2-8-17-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyBVNOWBZRRJMMAO-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one

1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 105095849) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
PubChem CID105095849
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
SMILESCc1cc(C(=O)CCc2ccco2)ccc1F
InChIInChI=1S/C14H13FO2/c1-10-9-11(4-6-13(10)15)14(16)7-5-12-3-2-8-17-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyBVNOWBZRRJMMAO-UHFFFAOYSA-N
XLogP3.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-one
CID 105121476
1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105116425
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097418
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094003
3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 105098497
1-(4-fluoro-3-methylphenyl)pent-4-yn-1-one
CID 63656708
1-(4-fluoro-3-methylphenyl)octan-1-one
CID 55186778
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
7-chloro-1-(4-fluoro-3-methylphenyl)heptan-1-one
CID 24726762
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105396704

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one (CID 105095849) is 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one is Cc1cc(C(=O)CCc2ccco2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is BVNOWBZRRJMMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-10-9-11(4-6-13(10)15)14(16)7-5-12-3-2-8-17-12/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 232.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105095849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).