2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole

C23H18ClN — CID 102231233

IUPAC2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole
SMILESC=C[C@@H](c1ccccc1)n1c(-c2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C23H18ClN/c1-2-21(17-8-4-3-5-9-17)25-22-11-7-6-10-19(22)16-23(25)18-12-14-20(24)15-13-18/h2-16,21H,1H2/t21-/m0/s1
InChIKeySBMJZGUSQZUEII-NRFANRHFSA-N
MW343.86 g/mol
LogP6.74
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole

2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole (PubChem CID 102231233) has the molecular formula C23H18ClN and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole
PubChem CID102231233
Molecular FormulaC23H18ClN
Molecular Weight343.86 g/mol
Exact Mass343.11
IUPAC Name2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole
SMILESC=C[C@@H](c1ccccc1)n1c(-c2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C23H18ClN/c1-2-21(17-8-4-3-5-9-17)25-22-11-7-6-10-19(22)16-23(25)18-12-14-20(24)15-13-18/h2-16,21H,1H2/t21-/m0/s1
InChIKeySBMJZGUSQZUEII-NRFANRHFSA-N
XLogP6.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.86
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(1-phenylprop-2-enyl)piperazine
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1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole
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CID 67798230
4-(4-chlorophenyl)pyrrolo[1,2-a]quinoline
CID 42612557
benzene;1-methyl-2-phenylindole
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6-chloro-2-(4-chlorophenyl)-1-hydroxyindole
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N-(4-chlorophenyl)-2,2,2-trifluoro-1-(2-phenylindol-1-yl)ethanimine
CID 56946538
1-butan-2-yl-2-naphthalen-2-ylindole
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1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
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1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
CID 116619067
1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole
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CID 12741718

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole?
The IUPAC name of 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole (CID 102231233) is 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole is C=C[C@@H](c1ccccc1)n1c(-c2ccc(Cl)cc2)cc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole?
The InChIKey is SBMJZGUSQZUEII-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18ClN/c1-2-21(17-8-4-3-5-9-17)25-22-11-7-6-10-19(22)16-23(25)18-12-14-20(24)15-13-18/h2-16,21H,1H2/t21-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole?
2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole has a molecular weight of 343.86 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole is sourced from PubChem (CID 102231233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).