1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde

C16H11Cl2NO — CID 102910670

IUPAC1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-14-2-1-3-15(18)13(14)9-19-7-6-12-8-11(10-20)4-5-16(12)19/h1-8,10H,9H2
InChIKeyWTQIHOMONKSZKX-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.81
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde

1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde (PubChem CID 102910670) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
PubChem CID102910670
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-14-2-1-3-15(18)13(14)9-19-7-6-12-8-11(10-20)4-5-16(12)19/h1-8,10H,9H2
InChIKeyWTQIHOMONKSZKX-UHFFFAOYSA-N
XLogP4.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-[(2-nitrophenyl)methyl]indole-5-carbaldehyde
CID 102910453
1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
CID 102910664
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663
1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde
CID 102910657
1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole
CID 110831051
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
1-benzyl-5-ethenylindole
CID 71373149
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde (CID 102910670) is 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde is O=Cc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde?
The InChIKey is WTQIHOMONKSZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-14-2-1-3-15(18)13(14)9-19-7-6-12-8-11(10-20)4-5-16(12)19/h1-8,10H,9H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde?
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde has a molecular weight of 304.18 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde is sourced from PubChem (CID 102910670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).