1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde

C17H14FNO — CID 114346607

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
SMILESCc1cc(F)ccc1Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C17H14FNO/c1-12-8-15(18)7-6-13(12)9-19-10-14(11-20)16-4-2-3-5-17(16)19/h2-8,10-11H,9H2,1H3
InChIKeyJPJXYBOWVVCMEA-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.95
Rot. Bonds3

About 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde

1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde (PubChem CID 114346607) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
PubChem CID114346607
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
SMILESCc1cc(F)ccc1Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C17H14FNO/c1-12-8-15(18)7-6-13(12)9-19-10-14(11-20)16-4-2-3-5-17(16)19/h2-8,10-11H,9H2,1H3
InChIKeyJPJXYBOWVVCMEA-UHFFFAOYSA-N
XLogP3.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.95
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

4-[(3-formylindol-1-yl)methyl]-3-methylbenzonitrile
CID 114484983
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
CID 114346298
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde
CID 105372599
1-[[2-(trifluoromethyl)phenyl]methyl]indole-3-carbaldehyde
CID 18973324
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide
CID 46858698
1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
CID 107307208
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]indole-3-carbaldehyde
CID 152961018
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde (CID 114346607) is 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde is Cc1cc(F)ccc1Cn1cc(C=O)c2ccccc21.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde?
The InChIKey is JPJXYBOWVVCMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-12-8-15(18)7-6-13(12)9-19-10-14(11-20)16-4-2-3-5-17(16)19/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde?
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde has a molecular weight of 267.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 114346607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).