(E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one

C17H12ClNO2 — CID 166626212

IUPAC(E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C17H12ClNO2/c18-12-6-8-17(21)14(9-12)16(20)7-5-11-10-19-15-4-2-1-3-13(11)15/h1-10,19,21H/b7-5+
InChIKeyHCRSGOMYURQCKG-FNORWQNLSA-N
MW297.74 g/mol
LogP4.42
Rot. Bonds3

About (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one

(E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one (PubChem CID 166626212) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
PubChem CID166626212
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name(E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C17H12ClNO2/c18-12-6-8-17(21)14(9-12)16(20)7-5-11-10-19-15-4-2-1-3-13(11)15/h1-10,19,21H/b7-5+
InChIKeyHCRSGOMYURQCKG-FNORWQNLSA-N
XLogP4.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.42
H-Bond Donors ≤ 52
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-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one (CID 166626212) is (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one is O=C(/C=C/c1c[nH]c2ccccc12)c1cc(Cl)ccc1O.
What is the InChIKey of (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one?
The InChIKey is HCRSGOMYURQCKG-FNORWQNLSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-12-6-8-17(21)14(9-12)16(20)7-5-11-10-19-15-4-2-1-3-13(11)15/h1-10,19,21H/b7-5+.
What are the key properties of (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one?
(E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one has a molecular weight of 297.74 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-chloro-2-hydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 166626212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).