7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione

C19H19NO3 — CID 3157311

IUPAC7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
SMILESCc1ccc(OCCCN2C(=O)C(=O)c3cccc(C)c32)cc1
InChIInChI=1S/C19H19NO3/c1-13-7-9-15(10-8-13)23-12-4-11-20-17-14(2)5-3-6-16(17)18(21)19(20)22/h3,5-10H,4,11-12H2,1-2H3
InChIKeyYFEUUMBLQHUPTG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.30
Rot. Bonds5

About 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione

7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione (PubChem CID 3157311) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione.

Molecular Properties

Compound Name7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
PubChem CID3157311
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
SMILESCc1ccc(OCCCN2C(=O)C(=O)c3cccc(C)c32)cc1
InChIInChI=1S/C19H19NO3/c1-13-7-9-15(10-8-13)23-12-4-11-20-17-14(2)5-3-6-16(17)18(21)19(20)22/h3,5-10H,4,11-12H2,1-2H3
InChIKeyYFEUUMBLQHUPTG-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-tert-butylphenoxy)butyl]-7-methylindole-2,3-dione
CID 18803297
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
7-chloro-1-[3-(3,4-dimethylphenoxy)propyl]indole-2,3-dione
CID 18803550
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
7-bromo-5-methyl-1-(3-phenoxypropyl)indole-2,3-dione
CID 18802621
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
CID 61387911
5-(7-methyl-2,3-dioxoindol-1-yl)pentanenitrile
CID 54965736
5,7-dichloro-1-[2-(4-methylphenoxy)ethyl]indole-2,3-dione
CID 18803792
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione?
The IUPAC name of 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione (CID 3157311) is 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione.
What is the SMILES notation for 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione?
The canonical SMILES for 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione is Cc1ccc(OCCCN2C(=O)C(=O)c3cccc(C)c32)cc1.
What is the InChIKey of 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione?
The InChIKey is YFEUUMBLQHUPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-7-9-15(10-8-13)23-12-4-11-20-17-14(2)5-3-6-16(17)18(21)19(20)22/h3,5-10H,4,11-12H2,1-2H3.
What are the key properties of 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione?
7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione has a molecular weight of 309.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione is sourced from PubChem (CID 3157311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).