1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole

C24H25NO — CID 71621165

IUPAC1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole
SMILESCCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c21
InChIInChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyKFTDXCOKDRDGNQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.19
Rot. Bonds6

About 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole

1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole (PubChem CID 71621165) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole.

Molecular Properties

Compound Name1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole
PubChem CID71621165
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole
SMILESCCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c21
InChIInChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyKFTDXCOKDRDGNQ-UHFFFAOYSA-N
XLogP6.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole?
The IUPAC name of 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole (CID 71621165) is 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole.
What is the SMILES notation for 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole?
The canonical SMILES for 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole is CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c21.
What is the InChIKey of 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole?
The InChIKey is KFTDXCOKDRDGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3.
What are the key properties of 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole?
1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole has a molecular weight of 343.47 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole is sourced from PubChem (CID 71621165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).