(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone

C18H12O4 — CID 42607786

IUPAC(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone
SMILESCOc1c(C(=O)c2ccccc2)oc2c1ccc1occc12
InChIInChI=1S/C18H12O4/c1-20-17-13-7-8-14-12(9-10-21-14)16(13)22-18(17)15(19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyIOMYTSYGOQQBAH-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.42
Rot. Bonds3

About (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone

(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone (PubChem CID 42607786) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone
PubChem CID42607786
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone
SMILESCOc1c(C(=O)c2ccccc2)oc2c1ccc1occc12
InChIInChI=1S/C18H12O4/c1-20-17-13-7-8-14-12(9-10-21-14)16(13)22-18(17)15(19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyIOMYTSYGOQQBAH-UHFFFAOYSA-N
XLogP4.42
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone (CID 42607786) is (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone is COc1c(C(=O)c2ccccc2)oc2c1ccc1occc12.
What is the InChIKey of (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone?
The InChIKey is IOMYTSYGOQQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c1-20-17-13-7-8-14-12(9-10-21-14)16(13)22-18(17)15(19)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone?
(3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone has a molecular weight of 292.29 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 42607786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).