(3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone

C17H14BrNO2 — CID 13029370

IUPAC(3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
SMILESCCc1cc2ccccn2c1C(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-2-11-9-13-5-3-4-8-19(13)16(11)17(21)12-6-7-15(20)14(18)10-12/h3-10,20H,2H2,1H3
InChIKeyUOLXLCMLZLHTRI-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.20
Rot. Bonds3

About (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone

(3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone (PubChem CID 13029370) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
PubChem CID13029370
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name(3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
SMILESCCc1cc2ccccn2c1C(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-2-11-9-13-5-3-4-8-19(13)16(11)17(21)12-6-7-15(20)14(18)10-12/h3-10,20H,2H2,1H3
InChIKeyUOLXLCMLZLHTRI-UHFFFAOYSA-N
XLogP4.20
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Eudistomin Y3
CID 24800711
(4-Bromo-2-fluorophenyl)-[1-(3,5-difluoro-4-hydroxyphenyl)pyrrol-2-yl]methanone
CID 71524661
Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-indolizinyl)-
CID 3060197
Methanone, (3-bromo-4-hydroxyphenyl)(1-bromo-2-phenyl-3-indolizinyl)-
CID 3060200
Methanone, (1-bromo-2-(4-fluorophenyl)-3-indolizinyl)(3-bromo-4-hydroxyphenyl)-
CID 3060201
Methanone, (1-bromo-2-(1-methylethyl)-3-indolizinyl)(3,5-dibromo-4-hydroxyphenyl)-
CID 3060202
1-[1-(2-Hydroxyphenyl)indolizin-3-yl]ethanone
CID 127026629
1-[1-(3-Hydroxyphenyl)indolizin-3-yl]ethanone
CID 127026630
(E)-1-(4-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 49798333
3-(4-Bromobenzoyl)indolizine-1-carboxylic acid
CID 118724656
3-(4-Bromobenzoyl)-7-methylindolizine-1-carboxylic acid
CID 118724662
(5Z)-3-(3-bromo-4-hydroxybenzoyl)-4-(3-bromo-4-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]furan-2-one
CID 162657207

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
The IUPAC name of (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone (CID 13029370) is (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
The canonical SMILES for (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone is CCc1cc2ccccn2c1C(=O)c1ccc(O)c(Br)c1.
What is the InChIKey of (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
The InChIKey is UOLXLCMLZLHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-2-11-9-13-5-3-4-8-19(13)16(11)17(21)12-6-7-15(20)14(18)10-12/h3-10,20H,2H2,1H3.
What are the key properties of (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
(3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone has a molecular weight of 344.21 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone is sourced from PubChem (CID 13029370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).