(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone

C15H19BrO3 — CID 114105395

IUPAC(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)C1CCOC1CC
InChIInChI=1S/C15H19BrO3/c1-3-13-11(7-8-19-13)15(17)12-9-10(16)5-6-14(12)18-4-2/h5-6,9,11,13H,3-4,7-8H2,1-2H3
InChIKeyHBYPSFNHQOEUBX-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.85
Rot. Bonds5

About (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone

(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone (PubChem CID 114105395) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone
PubChem CID114105395
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)C1CCOC1CC
InChIInChI=1S/C15H19BrO3/c1-3-13-11(7-8-19-13)15(17)12-9-10(16)5-6-14(12)18-4-2/h5-6,9,11,13H,3-4,7-8H2,1-2H3
InChIKeyHBYPSFNHQOEUBX-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone (CID 114105395) is (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone is CCOc1ccc(Br)cc1C(=O)C1CCOC1CC.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone?
The InChIKey is HBYPSFNHQOEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-3-13-11(7-8-19-13)15(17)12-9-10(16)5-6-14(12)18-4-2/h5-6,9,11,13H,3-4,7-8H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone?
(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone has a molecular weight of 327.22 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone is sourced from PubChem (CID 114105395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).