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

C19H14ClNO2 — CID 112788739

IUPAC1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO2/c20-14-7-9-15(10-8-14)23-12-11-21-17-6-2-4-13-3-1-5-16(18(13)17)19(21)22/h1-10H,11-12H2
InChIKeyNZSMEZXUBDOAIZ-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.53
Rot. Bonds4

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

1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one (PubChem CID 112788739) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one
PubChem CID112788739
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO2/c20-14-7-9-15(10-8-14)23-12-11-21-17-6-2-4-13-3-1-5-16(18(13)17)19(21)22/h1-10H,11-12H2
InChIKeyNZSMEZXUBDOAIZ-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]benzo[cd]indol-2-one
CID 7894088
1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
CID 103482297
1-[3-(4-methylsulfonylphenoxy)propyl]benzo[cd]indol-2-one
CID 60599771
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
1-[2-(4-chlorophenyl)-2-hydroxyethyl]benzo[cd]indol-2-one
CID 47025328
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132665568
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one (CID 112788739) is 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one?
The InChIKey is NZSMEZXUBDOAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c20-14-7-9-15(10-8-14)23-12-11-21-17-6-2-4-13-3-1-5-16(18(13)17)19(21)22/h1-10H,11-12H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one?
1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one has a molecular weight of 323.78 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 112788739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).