[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone

C24H29NO2 — CID 70526497

IUPAC[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCOCCCCCC(C)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H29NO2/c1-18(12-6-5-11-17-27-3)25-19(2)23(21-15-9-10-16-22(21)25)24(26)20-13-7-4-8-14-20/h4,7-10,13-16,18H,5-6,11-12,17H2,1-3H3
InChIKeyXKPJFNRRONAHRS-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.95
Rot. Bonds9

About [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone

[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone (PubChem CID 70526497) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
PubChem CID70526497
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCOCCCCCC(C)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H29NO2/c1-18(12-6-5-11-17-27-3)25-19(2)23(21-15-9-10-16-22(21)25)24(26)20-13-7-4-8-14-20/h4,7-10,13-16,18H,5-6,11-12,17H2,1-3H3
InChIKeyXKPJFNRRONAHRS-UHFFFAOYSA-N
XLogP5.95
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The IUPAC name of [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone (CID 70526497) is [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone is COCCCCCC(C)n1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The InChIKey is XKPJFNRRONAHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-18(12-6-5-11-17-27-3)25-19(2)23(21-15-9-10-16-22(21)25)24(26)20-13-7-4-8-14-20/h4,7-10,13-16,18H,5-6,11-12,17H2,1-3H3.
What are the key properties of [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone has a molecular weight of 363.50 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone is sourced from PubChem (CID 70526497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).