methyl 2-(9-octylcarbazol-2-yl)oxyacetate

C23H29NO3 — CID 56669598

IUPACmethyl 2-(9-octylcarbazol-2-yl)oxyacetate
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OC)cc21
InChIInChI=1S/C23H29NO3/c1-3-4-5-6-7-10-15-24-21-12-9-8-11-19(21)20-14-13-18(16-22(20)24)27-17-23(25)26-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKeyNOKJUWYVFDXNGA-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.71
Rot. Bonds10

About methyl 2-(9-octylcarbazol-2-yl)oxyacetate

methyl 2-(9-octylcarbazol-2-yl)oxyacetate (PubChem CID 56669598) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 2-(9-octylcarbazol-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(9-octylcarbazol-2-yl)oxyacetate
PubChem CID56669598
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Namemethyl 2-(9-octylcarbazol-2-yl)oxyacetate
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OC)cc21
InChIInChI=1S/C23H29NO3/c1-3-4-5-6-7-10-15-24-21-12-9-8-11-19(21)20-14-13-18(16-22(20)24)27-17-23(25)26-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKeyNOKJUWYVFDXNGA-UHFFFAOYSA-N
XLogP5.71
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The IUPAC name of methyl 2-(9-octylcarbazol-2-yl)oxyacetate (CID 56669598) is methyl 2-(9-octylcarbazol-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(9-octylcarbazol-2-yl)oxyacetate is CCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OC)cc21.
What is the InChIKey of methyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The InChIKey is NOKJUWYVFDXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-4-5-6-7-10-15-24-21-12-9-8-11-19(21)20-14-13-18(16-22(20)24)27-17-23(25)26-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3.
What are the key properties of methyl 2-(9-octylcarbazol-2-yl)oxyacetate?
methyl 2-(9-octylcarbazol-2-yl)oxyacetate has a molecular weight of 367.49 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9-octylcarbazol-2-yl)oxyacetate is sourced from PubChem (CID 56669598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).