5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde

C20H20ClNO2 — CID 4640983

IUPAC5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(Cl)cc1-c1[nH]c2ccc(C(C)(C)C)cc2c1C=O
InChIInChI=1S/C20H20ClNO2/c1-20(2,3)12-5-7-17-14(9-12)16(11-23)19(22-17)15-10-13(21)6-8-18(15)24-4/h5-11,22H,1-4H3
InChIKeyQAHJJZWJJNEYMX-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.61
Rot. Bonds3

About 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde

5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde (PubChem CID 4640983) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
PubChem CID4640983
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(Cl)cc1-c1[nH]c2ccc(C(C)(C)C)cc2c1C=O
InChIInChI=1S/C20H20ClNO2/c1-20(2,3)12-5-7-17-14(9-12)16(11-23)19(22-17)15-10-13(21)6-8-18(15)24-4/h5-11,22H,1-4H3
InChIKeyQAHJJZWJJNEYMX-UHFFFAOYSA-N
XLogP5.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-tert-butyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5143161
2-(5-chloro-2-methoxyphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3778869
2-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3537628
2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3803877
4-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 5243590
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3474339
2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3752137
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983
2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 4645813

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde (CID 4640983) is 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde is COc1ccc(Cl)cc1-c1[nH]c2ccc(C(C)(C)C)cc2c1C=O.
What is the InChIKey of 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is QAHJJZWJJNEYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-20(2,3)12-5-7-17-14(9-12)16(11-23)19(22-17)15-10-13(21)6-8-18(15)24-4/h5-11,22H,1-4H3.
What are the key properties of 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 341.84 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4640983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).