(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone

C14H13FO3 — CID 81283012

IUPAC(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(F)c(OC)c2)o1
InChIInChI=1S/C14H13FO3/c1-3-10-5-7-12(18-10)14(16)9-4-6-11(15)13(8-9)17-2/h4-8H,3H2,1-2H3
InChIKeyQJMQJJLLEOKXRF-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.22
Rot. Bonds4

About (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone

(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 81283012) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID81283012
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(F)c(OC)c2)o1
InChIInChI=1S/C14H13FO3/c1-3-10-5-7-12(18-10)14(16)9-4-6-11(15)13(8-9)17-2/h4-8H,3H2,1-2H3
InChIKeyQJMQJJLLEOKXRF-UHFFFAOYSA-N
XLogP3.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82092643
[3-bromo-4-(2-methoxyethoxy)phenyl]-(5-ethylfuran-2-yl)methanone
CID 104657127
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 104785039
(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
CID 63194528
(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
CID 114971031
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
2-chloro-1-(4-fluoro-3-methoxyphenyl)butan-1-one
CID 146006827
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
5-ethyl-N-(4-fluoro-2-methoxyphenyl)furan-2-carboxamide
CID 47170065

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone (CID 81283012) is (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone is CCc1ccc(C(=O)c2ccc(F)c(OC)c2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is QJMQJJLLEOKXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c1-3-10-5-7-12(18-10)14(16)9-4-6-11(15)13(8-9)17-2/h4-8H,3H2,1-2H3.
What are the key properties of (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 248.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 81283012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).