5-methoxy-1,2-dimethyl-3-pentylindole

C16H23NO — CID 129194157

IUPAC5-methoxy-1,2-dimethyl-3-pentylindole
SMILESCCCCCc1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C16H23NO/c1-5-6-7-8-14-12(2)17(3)16-10-9-13(18-4)11-15(14)16/h9-11H,5-8H2,1-4H3
InChIKeyUENJYYPKGPWWPK-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.23
Rot. Bonds5

About 5-methoxy-1,2-dimethyl-3-pentylindole

5-methoxy-1,2-dimethyl-3-pentylindole (PubChem CID 129194157) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethyl-3-pentylindole.

Molecular Properties

Compound Name5-methoxy-1,2-dimethyl-3-pentylindole
PubChem CID129194157
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-methoxy-1,2-dimethyl-3-pentylindole
SMILESCCCCCc1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C16H23NO/c1-5-6-7-8-14-12(2)17(3)16-10-9-13(18-4)11-15(14)16/h9-11H,5-8H2,1-4H3
InChIKeyUENJYYPKGPWWPK-UHFFFAOYSA-N
XLogP4.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
3-hexyl-1,2-dimethylindol-5-amine
CID 19016534
3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
9-butyl-3-methoxycarbazole
CID 132503458
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
CID 156735251
5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethyl-3-pentylindole?
The IUPAC name of 5-methoxy-1,2-dimethyl-3-pentylindole (CID 129194157) is 5-methoxy-1,2-dimethyl-3-pentylindole.
What is the SMILES notation for 5-methoxy-1,2-dimethyl-3-pentylindole?
The canonical SMILES for 5-methoxy-1,2-dimethyl-3-pentylindole is CCCCCc1c(C)n(C)c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-1,2-dimethyl-3-pentylindole?
The InChIKey is UENJYYPKGPWWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-6-7-8-14-12(2)17(3)16-10-9-13(18-4)11-15(14)16/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-methoxy-1,2-dimethyl-3-pentylindole?
5-methoxy-1,2-dimethyl-3-pentylindole has a molecular weight of 245.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethyl-3-pentylindole is sourced from PubChem (CID 129194157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).