1-[3-(3-phenoxyphenoxy)propoxy]indole

C23H21NO3 — CID 142737096

IUPAC1-[3-(3-phenoxyphenoxy)propoxy]indole
SMILESc1ccc(Oc2cccc(OCCCOn3ccc4ccccc43)c2)cc1
InChIInChI=1S/C23H21NO3/c1-2-9-20(10-3-1)27-22-12-6-11-21(18-22)25-16-7-17-26-24-15-14-19-8-4-5-13-23(19)24/h1-6,8-15,18H,7,16-17H2
InChIKeyBPOMDAGUFRVTHT-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.33
Rot. Bonds8

About 1-[3-(3-phenoxyphenoxy)propoxy]indole

1-[3-(3-phenoxyphenoxy)propoxy]indole (PubChem CID 142737096) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-(3-phenoxyphenoxy)propoxy]indole.

Molecular Properties

Compound Name1-[3-(3-phenoxyphenoxy)propoxy]indole
PubChem CID142737096
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name1-[3-(3-phenoxyphenoxy)propoxy]indole
SMILESc1ccc(Oc2cccc(OCCCOn3ccc4ccccc43)c2)cc1
InChIInChI=1S/C23H21NO3/c1-2-9-20(10-3-1)27-22-12-6-11-21(18-22)25-16-7-17-26-24-15-14-19-8-4-5-13-23(19)24/h1-6,8-15,18H,7,16-17H2
InChIKeyBPOMDAGUFRVTHT-UHFFFAOYSA-N
XLogP5.33
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
oxalic acid;1-[3-(3-phenoxyphenoxy)propyl]benzimidazole
CID 2965935
3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate
CID 70637741
methyl-[2-(3-phenoxyphenoxy)ethyl]azanium
CID 2199745
diethyl-[4-(3-phenoxyphenoxy)butyl]azanium
CID 2232638
3-(2-indol-1-ylethoxy)benzoic acid
CID 43532512
N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
CID 63516697
1-(3-phenoxyphenyl)imidazol-2-amine
CID 106566517
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide
CID 63702596
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
2-[1-benzyl-5-[3-(3-phenoxyphenoxy)propoxy]indol-3-yl]acetic acid
CID 122183553
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenoxyphenoxy)propoxy]indole?
The IUPAC name of 1-[3-(3-phenoxyphenoxy)propoxy]indole (CID 142737096) is 1-[3-(3-phenoxyphenoxy)propoxy]indole.
What is the SMILES notation for 1-[3-(3-phenoxyphenoxy)propoxy]indole?
The canonical SMILES for 1-[3-(3-phenoxyphenoxy)propoxy]indole is c1ccc(Oc2cccc(OCCCOn3ccc4ccccc43)c2)cc1.
What is the InChIKey of 1-[3-(3-phenoxyphenoxy)propoxy]indole?
The InChIKey is BPOMDAGUFRVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-9-20(10-3-1)27-22-12-6-11-21(18-22)25-16-7-17-26-24-15-14-19-8-4-5-13-23(19)24/h1-6,8-15,18H,7,16-17H2.
What are the key properties of 1-[3-(3-phenoxyphenoxy)propoxy]indole?
1-[3-(3-phenoxyphenoxy)propoxy]indole has a molecular weight of 359.43 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenoxyphenoxy)propoxy]indole is sourced from PubChem (CID 142737096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).