(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

C17H15BrO3 — CID 63732050

IUPAC(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H15BrO3/c1-2-21-16-6-5-14(18)8-15(16)17(19)11-3-4-12-9-20-10-13(12)7-11/h3-8H,2,9-10H2,1H3
InChIKeyXYYAXLNEQJSGGL-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.11
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 63732050) has the molecular formula C17H15BrO3 and a molecular weight of 347.21 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID63732050
Molecular FormulaC17H15BrO3
Molecular Weight347.21 g/mol
Exact Mass346.02
IUPAC Name(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H15BrO3/c1-2-21-16-6-5-14(18)8-15(16)17(19)11-3-4-12-9-20-10-13(12)7-11/h3-8H,2,9-10H2,1H3
InChIKeyXYYAXLNEQJSGGL-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62919039
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CID 43311306
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463855
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
CID 138983241
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62301805
1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
CID 82051142
(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone
CID 62213865

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 63732050) is (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is CCOc1ccc(Br)cc1C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is XYYAXLNEQJSGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO3/c1-2-21-16-6-5-14(18)8-15(16)17(19)11-3-4-12-9-20-10-13(12)7-11/h3-8H,2,9-10H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 347.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is sourced from PubChem (CID 63732050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).