(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one

C24H19NO2 — CID 171349643

IUPAC(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H19NO2/c26-24(14-13-20-16-25-23-12-5-4-11-22(20)23)19-9-6-10-21(15-19)27-17-18-7-2-1-3-8-18/h1-16,25H,17H2/b14-13+
InChIKeyGUJHAYYAUIHXPZ-BUHFOSPRSA-N
MW353.42 g/mol
LogP5.64
Rot. Bonds6

About (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one

(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 171349643) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID171349643
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H19NO2/c26-24(14-13-20-16-25-23-12-5-4-11-22(20)23)19-9-6-10-21(15-19)27-17-18-7-2-1-3-8-18/h1-16,25H,17H2/b14-13+
InChIKeyGUJHAYYAUIHXPZ-BUHFOSPRSA-N
XLogP5.64
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.64
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

tert-butyl 2-[3-[3-(1H-indol-3-yl)prop-2-enoyl]phenoxy]acetate
CID 66704709
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 78319229
2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 78319228
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
4-[3-[(4-methoxyphenyl)methoxy]phenyl]-4-oxobut-2-enoic acid
CID 54212138
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 71769665
3-(2-nitroethenyl)-6-phenylmethoxy-1H-indole
CID 67443454
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
(E)-1-anthracen-9-yl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 122220626

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one (CID 171349643) is (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one is O=C(/C=C/c1c[nH]c2ccccc12)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is GUJHAYYAUIHXPZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H19NO2/c26-24(14-13-20-16-25-23-12-5-4-11-22(20)23)19-9-6-10-21(15-19)27-17-18-7-2-1-3-8-18/h1-16,25H,17H2/b14-13+.
What are the key properties of (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one?
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 353.42 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 171349643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).