1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde

C17H14FNO — CID 105372599

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde
SMILESCc1ccc(F)cc1Cn1ccc2c(C=O)cccc21
InChIInChI=1S/C17H14FNO/c1-12-5-6-15(18)9-14(12)10-19-8-7-16-13(11-20)3-2-4-17(16)19/h2-9,11H,10H2,1H3
InChIKeyUCZSSZQGCNBFTB-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.95
Rot. Bonds3

About 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde

1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde (PubChem CID 105372599) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde
PubChem CID105372599
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde
SMILESCc1ccc(F)cc1Cn1ccc2c(C=O)cccc21
InChIInChI=1S/C17H14FNO/c1-12-5-6-15(18)9-14(12)10-19-8-7-16-13(11-20)3-2-4-17(16)19/h2-9,11H,10H2,1H3
InChIKeyUCZSSZQGCNBFTB-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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde (CID 105372599) is 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde is Cc1ccc(F)cc1Cn1ccc2c(C=O)cccc21.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde?
The InChIKey is UCZSSZQGCNBFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-12-5-6-15(18)9-14(12)10-19-8-7-16-13(11-20)3-2-4-17(16)19/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde?
1-[(5-fluoro-2-methylphenyl)methyl]indole-4-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-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde is sourced from PubChem (CID 105372599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).