2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde

C23H18ClNO2 — CID 166175262

IUPAC2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde
SMILESCOc1ccc(Cn2c(-c3ccccc3Cl)cc3c(C=O)cccc32)cc1
InChIInChI=1S/C23H18ClNO2/c1-27-18-11-9-16(10-12-18)14-25-22-8-4-5-17(15-26)20(22)13-23(25)19-6-2-3-7-21(19)24/h2-13,15H,14H2,1H3
InChIKeyQWFMLTQNQUVDAE-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.83
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde

2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde (PubChem CID 166175262) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde
PubChem CID166175262
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde
SMILESCOc1ccc(Cn2c(-c3ccccc3Cl)cc3c(C=O)cccc32)cc1
InChIInChI=1S/C23H18ClNO2/c1-27-18-11-9-16(10-12-18)14-25-22-8-4-5-17(15-26)20(22)13-23(25)19-6-2-3-7-21(19)24/h2-13,15H,14H2,1H3
InChIKeyQWFMLTQNQUVDAE-UHFFFAOYSA-N
XLogP5.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde (CID 166175262) is 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde is COc1ccc(Cn2c(-c3ccccc3Cl)cc3c(C=O)cccc32)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde?
The InChIKey is QWFMLTQNQUVDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-27-18-11-9-16(10-12-18)14-25-22-8-4-5-17(15-26)20(22)13-23(25)19-6-2-3-7-21(19)24/h2-13,15H,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde?
2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde has a molecular weight of 375.86 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde is sourced from PubChem (CID 166175262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).