(2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone

C17H13BrO3 — CID 155526032

IUPAC(2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1cccc(O)c1Br
InChIInChI=1S/C17H13BrO3/c1-2-13-15(10-6-3-4-9-14(10)21-13)17(20)11-7-5-8-12(19)16(11)18/h3-9,19H,2H2,1H3
InChIKeyMFGJSKYTVQTAJN-UHFFFAOYSA-N
MW345.19 g/mol
LogP4.69
Rot. Bonds3

About (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone

(2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone (PubChem CID 155526032) has the molecular formula C17H13BrO3 and a molecular weight of 345.19 g/mol. Its IUPAC name is (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
PubChem CID155526032
Molecular FormulaC17H13BrO3
Molecular Weight345.19 g/mol
Exact Mass344.00
IUPAC Name(2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1cccc(O)c1Br
InChIInChI=1S/C17H13BrO3/c1-2-13-15(10-6-3-4-9-14(10)21-13)17(20)11-7-5-8-12(19)16(11)18/h3-9,19H,2H2,1H3
InChIKeyMFGJSKYTVQTAJN-UHFFFAOYSA-N
XLogP4.69
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone (CID 155526032) is (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone is CCc1oc2ccccc2c1C(=O)c1cccc(O)c1Br.
What is the InChIKey of (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
The InChIKey is MFGJSKYTVQTAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO3/c1-2-13-15(10-6-3-4-9-14(10)21-13)17(20)11-7-5-8-12(19)16(11)18/h3-9,19H,2H2,1H3.
What are the key properties of (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone?
(2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone has a molecular weight of 345.19 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 155526032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).