(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one

C18H15NO2 — CID 5274453

IUPAC(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one
SMILESCn1ccc2c(O)c(C(=O)/C=C/c3ccccc3)ccc21
InChIInChI=1S/C18H15NO2/c1-19-12-11-14-16(19)9-8-15(18(14)21)17(20)10-7-13-5-3-2-4-6-13/h2-12,21H,1H3/b10-7+
InChIKeyCWPICGXVCUUCIA-JXMROGBWSA-N
MW277.32 g/mol
LogP3.78
Rot. Bonds3

About (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one

(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one (PubChem CID 5274453) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one
PubChem CID5274453
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one
SMILESCn1ccc2c(O)c(C(=O)/C=C/c3ccccc3)ccc21
InChIInChI=1S/C18H15NO2/c1-19-12-11-14-16(19)9-8-15(18(14)21)17(20)10-7-13-5-3-2-4-6-13/h2-12,21H,1H3/b10-7+
InChIKeyCWPICGXVCUUCIA-JXMROGBWSA-N
XLogP3.78
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one (CID 5274453) is (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one is Cn1ccc2c(O)c(C(=O)/C=C/c3ccccc3)ccc21.
What is the InChIKey of (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one?
The InChIKey is CWPICGXVCUUCIA-JXMROGBWSA-N. The full InChI is InChI=1S/C18H15NO2/c1-19-12-11-14-16(19)9-8-15(18(14)21)17(20)10-7-13-5-3-2-4-6-13/h2-12,21H,1H3/b10-7+.
What are the key properties of (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one?
(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one has a molecular weight of 277.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5274453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).