1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde

C16H12ClNO — CID 17221163

IUPAC1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H12ClNO/c17-15-4-1-12(2-5-15)10-18-8-7-14-9-13(11-19)3-6-16(14)18/h1-9,11H,10H2
InChIKeyLXSSFXFEELBODJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.16
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde

1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde (PubChem CID 17221163) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
PubChem CID17221163
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H12ClNO/c17-15-4-1-12(2-5-15)10-18-8-7-14-9-13(11-19)3-6-16(14)18/h1-9,11H,10H2
InChIKeyLXSSFXFEELBODJ-UHFFFAOYSA-N
XLogP4.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.16
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-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337
1-benzyl-5-ethenylindole
CID 71373149
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663
1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde
CID 102910657
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
CID 126249418

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde?
The IUPAC name of 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde (CID 17221163) is 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde is O=Cc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde?
The InChIKey is LXSSFXFEELBODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-15-4-1-12(2-5-15)10-18-8-7-14-9-13(11-19)3-6-16(14)18/h1-9,11H,10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde?
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde has a molecular weight of 269.73 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde is sourced from PubChem (CID 17221163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).