(5-methoxy-1-benzofuran-3-yl)-phenylmethanone

C16H12O3 — CID 619852

IUPAC(5-methoxy-1-benzofuran-3-yl)-phenylmethanone
SMILESCOc1ccc2occ(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(10-19-15)16(17)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyWBIYZPQWXHJJEE-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.67
Rot. Bonds3

About (5-methoxy-1-benzofuran-3-yl)-phenylmethanone

(5-methoxy-1-benzofuran-3-yl)-phenylmethanone (PubChem CID 619852) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (5-methoxy-1-benzofuran-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-1-benzofuran-3-yl)-phenylmethanone
PubChem CID619852
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(5-methoxy-1-benzofuran-3-yl)-phenylmethanone
SMILESCOc1ccc2occ(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(10-19-15)16(17)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyWBIYZPQWXHJJEE-UHFFFAOYSA-N
XLogP3.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-benzofuran-3-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-1-benzofuran-3-yl)-phenylmethanone (CID 619852) is (5-methoxy-1-benzofuran-3-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-1-benzofuran-3-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-1-benzofuran-3-yl)-phenylmethanone is COc1ccc2occ(C(=O)c3ccccc3)c2c1.
What is the InChIKey of (5-methoxy-1-benzofuran-3-yl)-phenylmethanone?
The InChIKey is WBIYZPQWXHJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(10-19-15)16(17)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of (5-methoxy-1-benzofuran-3-yl)-phenylmethanone?
(5-methoxy-1-benzofuran-3-yl)-phenylmethanone has a molecular weight of 252.27 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-benzofuran-3-yl)-phenylmethanone is sourced from PubChem (CID 619852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).