(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one

C20H19NO3 — CID 56675195

IUPAC(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C20H19NO3/c1-21-13-17(16-6-4-5-7-18(16)21)19(22)11-9-14-8-10-15(23-2)12-20(14)24-3/h4-13H,1-3H3/b11-9+
InChIKeyWLEGJNUYSIGWDD-PKNBQFBNSA-N
MW321.38 g/mol
LogP4.09
Rot. Bonds5

About (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one

(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one (PubChem CID 56675195) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
PubChem CID56675195
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C20H19NO3/c1-21-13-17(16-6-4-5-7-18(16)21)19(22)11-9-14-8-10-15(23-2)12-20(14)24-3/h4-13H,1-3H3/b11-9+
InChIKeyWLEGJNUYSIGWDD-PKNBQFBNSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1-methylindol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 56657919
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 70138696
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one
CID 142740667
(Z)-1-(1-methylindol-3-yl)-3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495325
(E)-1-(2,5-dimethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 7515331

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one (CID 56675195) is (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2cn(C)c3ccccc23)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one?
The InChIKey is WLEGJNUYSIGWDD-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H19NO3/c1-21-13-17(16-6-4-5-7-18(16)21)19(22)11-9-14-8-10-15(23-2)12-20(14)24-3/h4-13H,1-3H3/b11-9+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one?
(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one has a molecular weight of 321.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 56675195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).