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

C24H21NO2 — CID 155672688

IUPAC5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
SMILESCc1ccc2c(c1)c(C=O)cn2Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-18-7-12-24-23(13-18)21(16-26)15-25(24)14-19-8-10-22(11-9-19)27-17-20-5-3-2-4-6-20/h2-13,15-16H,14,17H2,1H3
InChIKeyBPYIZTFJUNESAH-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.39
Rot. Bonds6

About 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde

5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde (PubChem CID 155672688) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
PubChem CID155672688
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
SMILESCc1ccc2c(c1)c(C=O)cn2Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-18-7-12-24-23(13-18)21(16-26)15-25(24)14-19-8-10-22(11-9-19)27-17-20-5-3-2-4-6-20/h2-13,15-16H,14,17H2,1H3
InChIKeyBPYIZTFJUNESAH-UHFFFAOYSA-N
XLogP5.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.39
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

1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 18973550
1-benzyl-5,6-dimethoxyindole-3-carbaldehyde
CID 54532101
4-[(5-ethoxy-3-formylindol-1-yl)methyl]benzonitrile
CID 110832178
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
2-[1-benzyl-5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183538
2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
CID 174442513
1-benzyl-5-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
CID 73401743
1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 143599926
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
3-[(4-phenylmethoxyphenyl)methoxy]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 23024793

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde (CID 155672688) is 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde is Cc1ccc2c(c1)c(C=O)cn2Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
The InChIKey is BPYIZTFJUNESAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-18-7-12-24-23(13-18)21(16-26)15-25(24)14-19-8-10-22(11-9-19)27-17-20-5-3-2-4-6-20/h2-13,15-16H,14,17H2,1H3.
What are the key properties of 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde?
5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde has a molecular weight of 355.44 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 155672688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).