1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde

C23H19NO2 — CID 18973550

IUPAC1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C23H19NO2/c25-16-20-15-24(23-9-5-4-8-22(20)23)14-18-10-12-21(13-11-18)26-17-19-6-2-1-3-7-19/h1-13,15-16H,14,17H2
InChIKeyQGNHIGLTQZSAPU-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.08
Rot. Bonds6

About 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde

1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde (PubChem CID 18973550) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
PubChem CID18973550
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C23H19NO2/c25-16-20-15-24(23-9-5-4-8-22(20)23)14-18-10-12-21(13-11-18)26-17-19-6-2-1-3-7-19/h1-13,15-16H,14,17H2
InChIKeyQGNHIGLTQZSAPU-UHFFFAOYSA-N
XLogP5.08
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 155672688
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
1-[(4-nitrophenyl)methyl]indole-3-carbaldehyde
CID 883381
3-[(4-phenylmethoxyphenyl)methoxy]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 23024793
ethyl 4-[(3-formylindol-1-yl)methyl]benzoate
CID 3585043
2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
CID 174442513
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
1-benzyl-5,6-dimethoxyindole-3-carbaldehyde
CID 54532101
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 5458107
4-(1-benzylindol-3-yl)but-3-en-2-one
CID 2775547
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 19173356

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde (CID 18973550) is 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde is O=Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
The InChIKey is QGNHIGLTQZSAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-16-20-15-24(23-9-5-4-8-22(20)23)14-18-10-12-21(13-11-18)26-17-19-6-2-1-3-7-19/h1-13,15-16H,14,17H2.
What are the key properties of 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde has a molecular weight of 341.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 18973550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).