(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone

C17H14O3 — CID 21400675

IUPAC(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone
SMILESCCc1cc2c(C(=O)c3ccccc3)ccc(O)c2o1
InChIInChI=1S/C17H14O3/c1-2-12-10-14-13(8-9-15(18)17(14)20-12)16(19)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
InChIKeySUDIXTKHPHGZNX-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.93
Rot. Bonds3

About (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone

(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone (PubChem CID 21400675) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone
PubChem CID21400675
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone
SMILESCCc1cc2c(C(=O)c3ccccc3)ccc(O)c2o1
InChIInChI=1S/C17H14O3/c1-2-12-10-14-13(8-9-15(18)17(14)20-12)16(19)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
InChIKeySUDIXTKHPHGZNX-UHFFFAOYSA-N
XLogP3.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone?
The IUPAC name of (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone (CID 21400675) is (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone.
What is the SMILES notation for (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone?
The canonical SMILES for (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone is CCc1cc2c(C(=O)c3ccccc3)ccc(O)c2o1.
What is the InChIKey of (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone?
The InChIKey is SUDIXTKHPHGZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-12-10-14-13(8-9-15(18)17(14)20-12)16(19)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3.
What are the key properties of (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone?
(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone has a molecular weight of 266.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone is sourced from PubChem (CID 21400675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).