5,6-bis(phenylmethoxy)-3-propyl-1H-indole

C25H25NO2 — CID 134391777

IUPAC5,6-bis(phenylmethoxy)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2cc(OCc3ccccc3)c(OCc3ccccc3)cc12
InChIInChI=1S/C25H25NO2/c1-2-9-21-16-26-23-15-25(28-18-20-12-7-4-8-13-20)24(14-22(21)23)27-17-19-10-5-3-6-11-19/h3-8,10-16,26H,2,9,17-18H2,1H3
InChIKeyQPSYSVOCMOSLMC-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.28
Rot. Bonds8

About 5,6-bis(phenylmethoxy)-3-propyl-1H-indole

5,6-bis(phenylmethoxy)-3-propyl-1H-indole (PubChem CID 134391777) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5,6-bis(phenylmethoxy)-3-propyl-1H-indole.

Molecular Properties

Compound Name5,6-bis(phenylmethoxy)-3-propyl-1H-indole
PubChem CID134391777
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name5,6-bis(phenylmethoxy)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2cc(OCc3ccccc3)c(OCc3ccccc3)cc12
InChIInChI=1S/C25H25NO2/c1-2-9-21-16-26-23-15-25(28-18-20-12-7-4-8-13-20)24(14-22(21)23)27-17-19-10-5-3-6-11-19/h3-8,10-16,26H,2,9,17-18H2,1H3
InChIKeyQPSYSVOCMOSLMC-UHFFFAOYSA-N
XLogP6.28
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-bis(phenylmethoxy)-3-propyl-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

methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 135215758
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 66530752
6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one
CID 141107411
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
3-propyl-1H-indol-5-ol
CID 15366338
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
3-phenylmethoxy-4-propylpyridine
CID 154694939

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(phenylmethoxy)-3-propyl-1H-indole?
The IUPAC name of 5,6-bis(phenylmethoxy)-3-propyl-1H-indole (CID 134391777) is 5,6-bis(phenylmethoxy)-3-propyl-1H-indole.
What is the SMILES notation for 5,6-bis(phenylmethoxy)-3-propyl-1H-indole?
The canonical SMILES for 5,6-bis(phenylmethoxy)-3-propyl-1H-indole is CCCc1c[nH]c2cc(OCc3ccccc3)c(OCc3ccccc3)cc12.
What is the InChIKey of 5,6-bis(phenylmethoxy)-3-propyl-1H-indole?
The InChIKey is QPSYSVOCMOSLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-2-9-21-16-26-23-15-25(28-18-20-12-7-4-8-13-20)24(14-22(21)23)27-17-19-10-5-3-6-11-19/h3-8,10-16,26H,2,9,17-18H2,1H3.
What are the key properties of 5,6-bis(phenylmethoxy)-3-propyl-1H-indole?
5,6-bis(phenylmethoxy)-3-propyl-1H-indole has a molecular weight of 371.48 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(phenylmethoxy)-3-propyl-1H-indole is sourced from PubChem (CID 134391777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).