3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

C18H15NO2 — CID 3122026

IUPAC3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15NO2/c1-21-15-9-6-13(7-10-15)18(20)11-8-14-12-19-17-5-3-2-4-16(14)17/h2-12,19H,1H3
InChIKeyBMNUDXIDFCLLMM-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.07
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 3122026) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID3122026
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15NO2/c1-21-15-9-6-13(7-10-15)18(20)11-8-14-12-19-17-5-3-2-4-16(14)17/h2-12,19H,1H3
InChIKeyBMNUDXIDFCLLMM-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 78319229
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
(E)-1-anthracen-9-yl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 122220626
2-[[(E)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoyl]amino]acetic acid
CID 171983393
tert-butyl 2-[3-[3-(1H-indol-3-yl)prop-2-enoyl]phenoxy]acetate
CID 66704709
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
(E)-3-(4-ethoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
CID 136798732
(E)-3-[2-(dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6058579
[4-[(Z)-3-[1-[2-[(Z)-3-[4-(4-methoxybenzoyl)oxyphenyl]-3-oxoprop-1-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 164766803

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 3122026) is 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)C=Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is BMNUDXIDFCLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-15-9-6-13(7-10-15)18(20)11-8-14-12-19-17-5-3-2-4-16(14)17/h2-12,19H,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 277.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 3122026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).