1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde

C16H12ClNO — CID 122702906

IUPAC1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H12ClNO/c17-14-6-3-4-12(8-14)10-18-15(11-19)9-13-5-1-2-7-16(13)18/h1-9,11H,10H2
InChIKeyNQZZVWTTYWXPEC-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.16
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde

1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde (PubChem CID 122702906) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde
PubChem CID122702906
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H12ClNO/c17-14-6-3-4-12(8-14)10-18-15(11-19)9-13-5-1-2-7-16(13)18/h1-9,11H,10H2
InChIKeyNQZZVWTTYWXPEC-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-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
1-(1-benzylindol-2-yl)-N-tert-butylmethanimine
CID 135086203
3-[(3-chlorophenyl)methyl]-1,3-benzothiazol-2-one;hydrate
CID 51056962
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
1-benzyl-5-chloropyrrole-2-carbaldehyde
CID 14686207
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117206660
1-benzylindol-2-amine
CID 91418343
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
2-ethenyl-1-(pyridin-3-ylmethyl)indole
CID 138503201

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde?
The IUPAC name of 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde (CID 122702906) is 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde is O=Cc1cc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde?
The InChIKey is NQZZVWTTYWXPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-14-6-3-4-12(8-14)10-18-15(11-19)9-13-5-1-2-7-16(13)18/h1-9,11H,10H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde?
1-[(3-chlorophenyl)methyl]indole-2-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-[(3-chlorophenyl)methyl]indole-2-carbaldehyde is sourced from PubChem (CID 122702906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).