(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone

C21H16O4 — CID 66561178

IUPAC(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone
SMILESCOc1c2ccccc2c(OC)c2oc(C(=O)c3ccccc3)cc12
InChIInChI=1S/C21H16O4/c1-23-19-14-10-6-7-11-15(14)20(24-2)21-16(19)12-17(25-21)18(22)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyRQTLIOFLBJJGPP-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.83
Rot. Bonds4

About (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone

(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone (PubChem CID 66561178) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone
PubChem CID66561178
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone
SMILESCOc1c2ccccc2c(OC)c2oc(C(=O)c3ccccc3)cc12
InChIInChI=1S/C21H16O4/c1-23-19-14-10-6-7-11-15(14)20(24-2)21-16(19)12-17(25-21)18(22)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyRQTLIOFLBJJGPP-UHFFFAOYSA-N
XLogP4.83
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone (CID 66561178) is (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone is COc1c2ccccc2c(OC)c2oc(C(=O)c3ccccc3)cc12.
What is the InChIKey of (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone?
The InChIKey is RQTLIOFLBJJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-23-19-14-10-6-7-11-15(14)20(24-2)21-16(19)12-17(25-21)18(22)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone?
(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone has a molecular weight of 332.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 66561178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).