1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone

C17H14O4 — CID 168527546

IUPAC1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone
SMILESCOc1cc(-c2ccco2)ccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C17H14O4/c1-11(18)14-7-8-16(21-14)13-6-5-12(10-17(13)19-2)15-4-3-9-20-15/h3-10H,1-2H3
InChIKeyOUEWJBREXQMQOG-UHFFFAOYSA-N
MW282.30 g/mol
LogP4.42
Rot. Bonds4

About 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone

1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone (PubChem CID 168527546) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone
PubChem CID168527546
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone
SMILESCOc1cc(-c2ccco2)ccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C17H14O4/c1-11(18)14-7-8-16(21-14)13-6-5-12(10-17(13)19-2)15-4-3-9-20-15/h3-10H,1-2H3
InChIKeyOUEWJBREXQMQOG-UHFFFAOYSA-N
XLogP4.42
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone (CID 168527546) is 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone is COc1cc(-c2ccco2)ccc1-c1ccc(C(C)=O)o1.
What is the InChIKey of 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone?
The InChIKey is OUEWJBREXQMQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-11(18)14-7-8-16(21-14)13-6-5-12(10-17(13)19-2)15-4-3-9-20-15/h3-10H,1-2H3.
What are the key properties of 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone?
1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone has a molecular weight of 282.30 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone is sourced from PubChem (CID 168527546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).