2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde

C24H20FNO2 — CID 174442513

IUPAC2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
SMILESO=CCc1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H20FNO2/c25-21-8-6-18(7-9-21)15-26-16-20(12-13-27)23-14-22(10-11-24(23)26)28-17-19-4-2-1-3-5-19/h1-11,13-14,16H,12,15,17H2
InChIKeyXDRBMIVXBDFGQJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.15
Rot. Bonds7

About 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde

2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde (PubChem CID 174442513) has the molecular formula C24H20FNO2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
PubChem CID174442513
Molecular FormulaC24H20FNO2
Molecular Weight373.43 g/mol
Exact Mass373.15
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
SMILESO=CCc1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H20FNO2/c25-21-8-6-18(7-9-21)15-26-16-20(12-13-27)23-14-22(10-11-24(23)26)28-17-19-4-2-1-3-5-19/h1-11,13-14,16H,12,15,17H2
InChIKeyXDRBMIVXBDFGQJ-UHFFFAOYSA-N
XLogP5.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-benzyl-5-[3-[3-[(4-fluorophenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183561
(E)-3-[3-(2-oxoethyl)-5-phenylmethoxyindol-1-yl]prop-2-enoic acid
CID 142024649
1-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]ethane-1,2-dione
CID 110169325
2-[1-benzyl-5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183538
5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 155672688
1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 18973550
2-[[1-benzyl-5-(naphthalen-2-ylmethoxy)indol-3-yl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 11271505
N-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 110167937
dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate
CID 157152632
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid
CID 10346756

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde (CID 174442513) is 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde is O=CCc1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde?
The InChIKey is XDRBMIVXBDFGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO2/c25-21-8-6-18(7-9-21)15-26-16-20(12-13-27)23-14-22(10-11-24(23)26)28-17-19-4-2-1-3-5-19/h1-11,13-14,16H,12,15,17H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde?
2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde has a molecular weight of 373.43 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde is sourced from PubChem (CID 174442513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).