1-butyl-7-methoxy-3-naphthalen-2-ylindole

C23H23NO — CID 71656839

IUPAC1-butyl-7-methoxy-3-naphthalen-2-ylindole
SMILESCCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c21
InChIInChI=1S/C23H23NO/c1-3-4-14-24-16-21(20-10-7-11-22(25-2)23(20)24)19-13-12-17-8-5-6-9-18(17)15-19/h5-13,15-16H,3-4,14H2,1-2H3
InChIKeyMDEZNAJVPGRYNY-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.27
Rot. Bonds5

About 1-butyl-7-methoxy-3-naphthalen-2-ylindole

1-butyl-7-methoxy-3-naphthalen-2-ylindole (PubChem CID 71656839) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-butyl-7-methoxy-3-naphthalen-2-ylindole.

Molecular Properties

Compound Name1-butyl-7-methoxy-3-naphthalen-2-ylindole
PubChem CID71656839
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1-butyl-7-methoxy-3-naphthalen-2-ylindole
SMILESCCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c21
InChIInChI=1S/C23H23NO/c1-3-4-14-24-16-21(20-10-7-11-22(25-2)23(20)24)19-13-12-17-8-5-6-9-18(17)15-19/h5-13,15-16H,3-4,14H2,1-2H3
InChIKeyMDEZNAJVPGRYNY-UHFFFAOYSA-N
XLogP6.27
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.27
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-2-ylindole?
The IUPAC name of 1-butyl-7-methoxy-3-naphthalen-2-ylindole (CID 71656839) is 1-butyl-7-methoxy-3-naphthalen-2-ylindole.
What is the SMILES notation for 1-butyl-7-methoxy-3-naphthalen-2-ylindole?
The canonical SMILES for 1-butyl-7-methoxy-3-naphthalen-2-ylindole is CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c21.
What is the InChIKey of 1-butyl-7-methoxy-3-naphthalen-2-ylindole?
The InChIKey is MDEZNAJVPGRYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-3-4-14-24-16-21(20-10-7-11-22(25-2)23(20)24)19-13-12-17-8-5-6-9-18(17)15-19/h5-13,15-16H,3-4,14H2,1-2H3.
What are the key properties of 1-butyl-7-methoxy-3-naphthalen-2-ylindole?
1-butyl-7-methoxy-3-naphthalen-2-ylindole has a molecular weight of 329.44 g/mol, XLogP of 6.27, 5 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-2-ylindole is sourced from PubChem (CID 71656839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).