[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone

C26H33NO2 — CID 70527772

IUPAC[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
SMILESCCCOCCCCCCCn1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H33NO2/c1-3-19-29-20-13-6-4-5-12-18-27-21(2)25(23-16-10-11-17-24(23)27)26(28)22-14-8-7-9-15-22/h7-11,14-17H,3-6,12-13,18-20H2,1-2H3
InChIKeyFHRBZODAFWPRIJ-UHFFFAOYSA-N
MW391.56 g/mol
LogP6.56
Rot. Bonds12

About [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone

[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone (PubChem CID 70527772) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
PubChem CID70527772
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
SMILESCCCOCCCCCCCn1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H33NO2/c1-3-19-29-20-13-6-4-5-12-18-27-21(2)25(23-16-10-11-17-24(23)27)26(28)22-14-8-7-9-15-22/h7-11,14-17H,3-6,12-13,18-20H2,1-2H3
InChIKeyFHRBZODAFWPRIJ-UHFFFAOYSA-N
XLogP6.56
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.56
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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Related Compounds

(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
[1-(11-methoxyundecyl)-2-methylindol-3-yl]-phenylmethanone
CID 70528535
[2-methyl-1-(4-pyridin-2-ylsulfonylbutyl)indol-3-yl]-phenylmethanone
CID 70525577
[2-methyl-1-(4-pyridin-4-ylsulfinylbutyl)indol-3-yl]-phenylmethanone
CID 70527709
[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526808
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
1-(5-propoxypentyl)-2H-indazol-3-one
CID 10355354
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526186
[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526497
(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
CID 45272121
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 45267819

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone?
The IUPAC name of [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone (CID 70527772) is [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone.
What is the SMILES notation for [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone?
The canonical SMILES for [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone is CCCOCCCCCCCn1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone?
The InChIKey is FHRBZODAFWPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-3-19-29-20-13-6-4-5-12-18-27-21(2)25(23-16-10-11-17-24(23)27)26(28)22-14-8-7-9-15-22/h7-11,14-17H,3-6,12-13,18-20H2,1-2H3.
What are the key properties of [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone?
[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone has a molecular weight of 391.56 g/mol, XLogP of 6.56, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone is sourced from PubChem (CID 70527772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).