1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone

C14H13FO4 — CID 62029822

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
SMILESCOc1ccc(C(=O)COCc2ccco2)cc1F
InChIInChI=1S/C14H13FO4/c1-17-14-5-4-10(7-12(14)15)13(16)9-18-8-11-3-2-6-19-11/h2-7H,8-9H2,1H3
InChIKeyMGUHGKNUBXACAR-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.83
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone

1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone (PubChem CID 62029822) has the molecular formula C14H13FO4 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
PubChem CID62029822
Molecular FormulaC14H13FO4
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
SMILESCOc1ccc(C(=O)COCc2ccco2)cc1F
InChIInChI=1S/C14H13FO4/c1-17-14-5-4-10(7-12(14)15)13(16)9-18-8-11-3-2-6-19-11/h2-7H,8-9H2,1H3
InChIKeyMGUHGKNUBXACAR-UHFFFAOYSA-N
XLogP2.83
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029821
3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86914819
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7544411
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
CID 53415620
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
CID 62029866

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone (CID 62029822) is 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone is COc1ccc(C(=O)COCc2ccco2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone?
The InChIKey is MGUHGKNUBXACAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO4/c1-17-14-5-4-10(7-12(14)15)13(16)9-18-8-11-3-2-6-19-11/h2-7H,8-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone has a molecular weight of 264.25 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone is sourced from PubChem (CID 62029822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).