1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one

C20H17NO3 — CID 7894088

IUPAC1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
SMILESCOc1ccc(OCCN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C20H17NO3/c1-23-15-8-10-16(11-9-15)24-13-12-21-18-7-3-5-14-4-2-6-17(19(14)18)20(21)22/h2-11H,12-13H2,1H3
InChIKeyWMBRAECQSGZUJN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.89
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one

1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one (PubChem CID 7894088) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
PubChem CID7894088
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
SMILESCOc1ccc(OCCN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C20H17NO3/c1-23-15-8-10-16(11-9-15)24-13-12-21-18-7-3-5-14-4-2-6-17(19(14)18)20(21)22/h2-11H,12-13H2,1H3
InChIKeyWMBRAECQSGZUJN-UHFFFAOYSA-N
XLogP3.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one
CID 112788739
1-[3-(4-methylsulfonylphenoxy)propyl]benzo[cd]indol-2-one
CID 60599771
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132665568
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
CID 103482297
1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]hexyl]benzo[cd]indol-2-one
CID 155516282
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
N-[1-(4-methoxyphenyl)-3-methylbutyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132668944
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-[2-(4-tert-butylphenoxy)ethyl]indole-2,3-dione
CID 3157902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one (CID 7894088) is 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one is COc1ccc(OCCN2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one?
The InChIKey is WMBRAECQSGZUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-15-8-10-16(11-9-15)24-13-12-21-18-7-3-5-14-4-2-6-17(19(14)18)20(21)22/h2-11H,12-13H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one?
1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 7894088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).