(2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate

C20H12Cl3NO2 — CID 14920378

IUPAC(2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate
SMILESO=C(Cn1c2ccccc2c2ccccc21)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C20H12Cl3NO2/c21-14-9-16(23)19(10-15(14)22)26-20(25)11-24-17-7-3-1-5-12(17)13-6-2-4-8-18(13)24/h1-10H,11H2
InChIKeyCOEXLXJAICNSPR-UHFFFAOYSA-N
MW404.68 g/mol
LogP6.36
Rot. Bonds3

About (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate

(2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate (PubChem CID 14920378) has the molecular formula C20H12Cl3NO2 and a molecular weight of 404.68 g/mol. Its IUPAC name is (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate.

Molecular Properties

Compound Name(2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate
PubChem CID14920378
Molecular FormulaC20H12Cl3NO2
Molecular Weight404.68 g/mol
Exact Mass402.99
IUPAC Name(2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate
SMILESO=C(Cn1c2ccccc2c2ccccc21)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C20H12Cl3NO2/c21-14-9-16(23)19(10-15(14)22)26-20(25)11-24-17-7-3-1-5-12(17)13-6-2-4-8-18(13)24/h1-10H,11H2
InChIKeyCOEXLXJAICNSPR-UHFFFAOYSA-N
XLogP6.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 2-carbazol-9-ylacetate
CID 3745219
(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16583730
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
cyclohexyl 2-carbazol-9-ylacetate
CID 12010465
(2,4,5-trichlorophenyl) 2-(4-hydroxyphenyl)acetate
CID 15608392
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 99810576
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
CID 16605535
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate?
The IUPAC name of (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate (CID 14920378) is (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate.
What is the SMILES notation for (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate?
The canonical SMILES for (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate is O=C(Cn1c2ccccc2c2ccccc21)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate?
The InChIKey is COEXLXJAICNSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3NO2/c21-14-9-16(23)19(10-15(14)22)26-20(25)11-24-17-7-3-1-5-12(17)13-6-2-4-8-18(13)24/h1-10H,11H2.
What are the key properties of (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate?
(2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate has a molecular weight of 404.68 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate is sourced from PubChem (CID 14920378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).