(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one

C20H19NO2 — CID 142885299

IUPAC(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc2c(c1)c(C)c(C)n2C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H19NO2/c1-14-15(2)21(19-11-10-17(23-3)13-18(14)19)20(22)12-9-16-7-5-4-6-8-16/h4-13H,1-3H3/b12-9+
InChIKeyLRGMKNFUENWVJM-FMIVXFBMSA-N
MW305.38 g/mol
LogP4.62
Rot. Bonds3

About (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 142885299) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one
PubChem CID142885299
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc2c(c1)c(C)c(C)n2C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H19NO2/c1-14-15(2)21(19-11-10-17(23-3)13-18(14)19)20(22)12-9-16-7-5-4-6-8-16/h4-13H,1-3H3/b12-9+
InChIKeyLRGMKNFUENWVJM-FMIVXFBMSA-N
XLogP4.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)-3-phenylprop-2-en-1-one
CID 21136092
2-[5-methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetaldehyde
CID 162976406
ethanesulfonic acid;2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetamide
CID 172685117
2-(4-butoxyphenyl)-N-hydroxyacetamide;2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetic acid
CID 87428484
benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
CID 102166837
1-[3-[2-[2-(cyclohexylmethyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-3-phenylprop-2-en-1-one
CID 54554197
ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
CID 142926296
(E)-1-(2-bromo-5-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 166437631
(E)-1-(5-(125I)iodoindol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 56680479
2-[7-methyl-6-[(E)-3-phenylprop-2-enoyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetic acid
CID 21395956
2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid
CID 154140708
(E)-1-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 82638845

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one (CID 142885299) is (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one is COc1ccc2c(c1)c(C)c(C)n2C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is LRGMKNFUENWVJM-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-15(2)21(19-11-10-17(23-3)13-18(14)19)20(22)12-9-16-7-5-4-6-8-16/h4-13H,1-3H3/b12-9+.
What are the key properties of (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 305.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 142885299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).