3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole

C20H21NO — CID 10935197

IUPAC3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
SMILESCC(C)=CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H21NO/c1-15(2)8-9-17-13-21-20-11-10-18(12-19(17)20)22-14-16-6-4-3-5-7-16/h3-8,10-13,21H,9,14H2,1-2H3
InChIKeyPUXLKWRKDVMORS-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.26
Rot. Bonds5

About 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole

3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole (PubChem CID 10935197) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
PubChem CID10935197
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
SMILESCC(C)=CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H21NO/c1-15(2)8-9-17-13-21-20-11-10-18(12-19(17)20)22-14-16-6-4-3-5-7-16/h3-8,10-13,21H,9,14H2,1-2H3
InChIKeyPUXLKWRKDVMORS-UHFFFAOYSA-N
XLogP5.26
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole 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-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
ethyl (E)-4-(5-phenylmethoxy-1H-indol-3-yl)but-2-enoate
CID 19372353
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole?
The IUPAC name of 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole (CID 10935197) is 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole?
The canonical SMILES for 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole is CC(C)=CCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole?
The InChIKey is PUXLKWRKDVMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-15(2)8-9-17-13-21-20-11-10-18(12-19(17)20)22-14-16-6-4-3-5-7-16/h3-8,10-13,21H,9,14H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole?
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole has a molecular weight of 291.39 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole is sourced from PubChem (CID 10935197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).