3-phenyl-4-propoxy-1H-indole

C17H17NO — CID 90764828

IUPAC3-phenyl-4-propoxy-1H-indole
SMILESCCCOc1cccc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C17H17NO/c1-2-11-19-16-10-6-9-15-17(16)14(12-18-15)13-7-4-3-5-8-13/h3-10,12,18H,2,11H2,1H3
InChIKeyMTXHADTUUHICAB-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.62
Rot. Bonds4

About 3-phenyl-4-propoxy-1H-indole

3-phenyl-4-propoxy-1H-indole (PubChem CID 90764828) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-phenyl-4-propoxy-1H-indole.

Molecular Properties

Compound Name3-phenyl-4-propoxy-1H-indole
PubChem CID90764828
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-phenyl-4-propoxy-1H-indole
SMILESCCCOc1cccc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C17H17NO/c1-2-11-19-16-10-6-9-15-17(16)14(12-18-15)13-7-4-3-5-8-13/h3-10,12,18H,2,11H2,1H3
InChIKeyMTXHADTUUHICAB-UHFFFAOYSA-N
XLogP4.62
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-propoxy-1H-indole-3-sulfonamide
CID 83174186
2-phenyl-3-propoxyphenol
CID 155695054
3-bromo-4-oxo-4-(4-propoxy-1H-indol-3-yl)butanoic acid
CID 83164418
2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
CID 83162483
1-octadecoxy-2-phenylbenzene
CID 70983974
3-phenyl-4-propoxythiophene
CID 57117902
1-heptoxy-2,3-diphenylbenzene
CID 91223664
2-phenyl-6-propoxybenzamide
CID 57275841
piperidin-4-yl-(4-propoxy-1H-indol-3-yl)methanol
CID 83164729
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
furan-3-yl-(4-propoxy-1H-indol-3-yl)methanone
CID 83163488
4-ethoxy-3-ethyl-1H-indole
CID 171816854

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propoxy-1H-indole?
The IUPAC name of 3-phenyl-4-propoxy-1H-indole (CID 90764828) is 3-phenyl-4-propoxy-1H-indole.
What is the SMILES notation for 3-phenyl-4-propoxy-1H-indole?
The canonical SMILES for 3-phenyl-4-propoxy-1H-indole is CCCOc1cccc2[nH]cc(-c3ccccc3)c12.
What is the InChIKey of 3-phenyl-4-propoxy-1H-indole?
The InChIKey is MTXHADTUUHICAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-11-19-16-10-6-9-15-17(16)14(12-18-15)13-7-4-3-5-8-13/h3-10,12,18H,2,11H2,1H3.
What are the key properties of 3-phenyl-4-propoxy-1H-indole?
3-phenyl-4-propoxy-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propoxy-1H-indole is sourced from PubChem (CID 90764828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).