5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid

C73H83N5O5 — CID 161341479

IUPAC5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid
SMILESCC(C)C1C=Nc2c(OCc3ccccc3)cccc21.CC(C)C1C=Nc2ccccc21.CC(C)c1c[nH]c2ccc(OCc3ccccc3)cc12.CC(C)c1cn(CCC(=O)O)c2ccccc12.COc1ccc2c(c1)C(C(C)C)C=N2
InChIInChI=1S/2C18H19NO.C14H17NO2.C12H15NO.C11H13N/c1-13(2)16-11-19-18-15(16)9-6-10-17(18)20-12-14-7-4-3-5-8-14;1-13(2)17-11-19-18-9-8-15(10-16(17)18)20-12-14-6-4-3-5-7-14;1-10(2)12-9-15(8-7-14(16)17)13-6-4-3-5-11(12)13;1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-11,13,16H,12H2,1-2H3;3-11,13,19H,12H2,1-2H3;3-6,9-10H,7-8H2,1-2H3,(H,16,17);4-8,11H,1-3H3;3-8,10H,1-2H3
InChIKeyVMSKTKPCPYRVFG-UHFFFAOYSA-N
MW1110.50 g/mol
LogP19.12
Rot. Bonds15

About 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid

5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid (PubChem CID 161341479) has the molecular formula C73H83N5O5 and a molecular weight of 1110.50 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid
PubChem CID161341479
Molecular FormulaC73H83N5O5
Molecular Weight1110.50 g/mol
Exact Mass1109.64
IUPAC Name5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid
SMILESCC(C)C1C=Nc2c(OCc3ccccc3)cccc21.CC(C)C1C=Nc2ccccc21.CC(C)c1c[nH]c2ccc(OCc3ccccc3)cc12.CC(C)c1cn(CCC(=O)O)c2ccccc12.COc1ccc2c(c1)C(C(C)C)C=N2
InChIInChI=1S/2C18H19NO.C14H17NO2.C12H15NO.C11H13N/c1-13(2)16-11-19-18-15(16)9-6-10-17(18)20-12-14-7-4-3-5-8-14;1-13(2)17-11-19-18-9-8-15(10-16(17)18)20-12-14-6-4-3-5-7-14;1-10(2)12-9-15(8-7-14(16)17)13-6-4-3-5-11(12)13;1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-11,13,16H,12H2,1-2H3;3-11,13,19H,12H2,1-2H3;3-6,9-10H,7-8H2,1-2H3,(H,16,17);4-8,11H,1-3H3;3-8,10H,1-2H3
InChIKeyVMSKTKPCPYRVFG-UHFFFAOYSA-N
XLogP19.12
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.50
LogP ≤ 519.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid?
The IUPAC name of 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid (CID 161341479) is 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid.
What is the SMILES notation for 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid?
The canonical SMILES for 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid is CC(C)C1C=Nc2c(OCc3ccccc3)cccc21.CC(C)C1C=Nc2ccccc21.CC(C)c1c[nH]c2ccc(OCc3ccccc3)cc12.CC(C)c1cn(CCC(=O)O)c2ccccc12.COc1ccc2c(c1)C(C(C)C)C=N2.
What is the InChIKey of 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid?
The InChIKey is VMSKTKPCPYRVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19NO.C14H17NO2.C12H15NO.C11H13N/c1-13(2)16-11-19-18-15(16)9-6-10-17(18)20-12-14-7-4-3-5-8-14;1-13(2)17-11-19-18-9-8-15(10-16(17)18)20-12-14-6-4-3-5-7-14;1-10(2)12-9-15(8-7-14(16)17)13-6-4-3-5-11(12)13;1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-11,13,16H,12H2,1-2H3;3-11,13,19H,12H2,1-2H3;3-6,9-10H,7-8H2,1-2H3,(H,16,17);4-8,11H,1-3H3;3-8,10H,1-2H3.
What are the key properties of 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid?
5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid has a molecular weight of 1110.50 g/mol, XLogP of 19.12, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid is sourced from PubChem (CID 161341479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).