(Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one

C18H14ClNO — CID 7374939

IUPAC(Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)/C=C\c1ccccc1Cl
InChIInChI=1S/C18H14ClNO/c1-12-18(14-7-3-5-9-16(14)20-12)17(21)11-10-13-6-2-4-8-15(13)19/h2-11,20H,1H3/b11-10-
InChIKeyFSVCENMCHWGXLL-KHPPLWFESA-N
MW295.77 g/mol
LogP5.03
Rot. Bonds3

About (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one

(Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one (PubChem CID 7374939) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
PubChem CID7374939
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name(Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)/C=C\c1ccccc1Cl
InChIInChI=1S/C18H14ClNO/c1-12-18(14-7-3-5-9-16(14)20-12)17(21)11-10-13-6-2-4-8-15(13)19/h2-11,20H,1H3/b11-10-
InChIKeyFSVCENMCHWGXLL-KHPPLWFESA-N
XLogP5.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one (CID 7374939) is (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one is Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccccc1Cl.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one?
The InChIKey is FSVCENMCHWGXLL-KHPPLWFESA-N. The full InChI is InChI=1S/C18H14ClNO/c1-12-18(14-7-3-5-9-16(14)20-12)17(21)11-10-13-6-2-4-8-15(13)19/h2-11,20H,1H3/b11-10-.
What are the key properties of (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one?
(Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one has a molecular weight of 295.77 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 7374939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).