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

C19H17NO2 — CID 118732206

IUPAC(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one
SMILESCCOc1ccccc1C(=O)/C=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C19H17NO2/c1-2-22-19-10-6-4-8-16(19)18(21)12-11-15-13-14-7-3-5-9-17(14)20-15/h3-13,20H,2H2,1H3/b12-11+
InChIKeyHAOSTVMHNMMMNK-VAWYXSNFSA-N
MW291.35 g/mol
LogP4.46
Rot. Bonds5

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

(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one (PubChem CID 118732206) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one
PubChem CID118732206
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one
SMILESCCOc1ccccc1C(=O)/C=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C19H17NO2/c1-2-22-19-10-6-4-8-16(19)18(21)12-11-15-13-14-7-3-5-9-17(14)20-15/h3-13,20H,2H2,1H3/b12-11+
InChIKeyHAOSTVMHNMMMNK-VAWYXSNFSA-N
XLogP4.46
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.46
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one (CID 118732206) is (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one is CCOc1ccccc1C(=O)/C=C/c1cc2ccccc2[nH]1.
What is the InChIKey of (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one?
The InChIKey is HAOSTVMHNMMMNK-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-22-19-10-6-4-8-16(19)18(21)12-11-15-13-14-7-3-5-9-17(14)20-15/h3-13,20H,2H2,1H3/b12-11+.
What are the key properties of (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one?
(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one has a molecular weight of 291.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 118732206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).