(E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

C19H16BrNO2 — CID 11111429

IUPAC(E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cn(C)c3ccc(Br)cc23)cc1
InChIInChI=1S/C19H16BrNO2/c1-21-12-14(17-11-15(20)6-9-18(17)21)5-10-19(22)13-3-7-16(23-2)8-4-13/h3-12H,1-2H3/b10-5+
InChIKeyXUTKBRSWUHOTLP-BJMVGYQFSA-N
MW370.25 g/mol
LogP4.85
Rot. Bonds4

About (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

(E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 11111429) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID11111429
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name(E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cn(C)c3ccc(Br)cc23)cc1
InChIInChI=1S/C19H16BrNO2/c1-21-12-14(17-11-15(20)6-9-18(17)21)5-10-19(22)13-3-7-16(23-2)8-4-13/h3-12H,1-2H3/b10-5+
InChIKeyXUTKBRSWUHOTLP-BJMVGYQFSA-N
XLogP4.85
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(4-bromophenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 34882734
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5346014
3-(5-bromo-2-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 2880937
(E)-3-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5346121
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-1-(4-bromophenyl)-3-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 6220759
1-(4-bromophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 84848600
(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
CID 56675195

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 11111429) is (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cn(C)c3ccc(Br)cc23)cc1.
What is the InChIKey of (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is XUTKBRSWUHOTLP-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-21-12-14(17-11-15(20)6-9-18(17)21)5-10-19(22)13-3-7-16(23-2)8-4-13/h3-12H,1-2H3/b10-5+.
What are the key properties of (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
(E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 370.25 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-1-methylindol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 11111429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).