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

C24H31NO3 — CID 56676435

IUPACethyl 2-(9-octylcarbazol-2-yl)oxyacetate
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OCC)cc21
InChIInChI=1S/C24H31NO3/c1-3-5-6-7-8-11-16-25-22-13-10-9-12-20(22)21-15-14-19(17-23(21)25)28-18-24(26)27-4-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKeyHHBHKIVNROYFAY-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.10
Rot. Bonds11

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

ethyl 2-(9-octylcarbazol-2-yl)oxyacetate (PubChem CID 56676435) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is ethyl 2-(9-octylcarbazol-2-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(9-octylcarbazol-2-yl)oxyacetate
PubChem CID56676435
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Nameethyl 2-(9-octylcarbazol-2-yl)oxyacetate
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OCC)cc21
InChIInChI=1S/C24H31NO3/c1-3-5-6-7-8-11-16-25-22-13-10-9-12-20(22)21-15-14-19(17-23(21)25)28-18-24(26)27-4-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKeyHHBHKIVNROYFAY-UHFFFAOYSA-N
XLogP6.10
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.10
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 ethyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The IUPAC name of ethyl 2-(9-octylcarbazol-2-yl)oxyacetate (CID 56676435) is ethyl 2-(9-octylcarbazol-2-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The canonical SMILES for ethyl 2-(9-octylcarbazol-2-yl)oxyacetate is CCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OCC)cc21.
What is the InChIKey of ethyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The InChIKey is HHBHKIVNROYFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-3-5-6-7-8-11-16-25-22-13-10-9-12-20(22)21-15-14-19(17-23(21)25)28-18-24(26)27-4-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3.
What are the key properties of ethyl 2-(9-octylcarbazol-2-yl)oxyacetate?
ethyl 2-(9-octylcarbazol-2-yl)oxyacetate has a molecular weight of 381.52 g/mol, XLogP of 6.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9-octylcarbazol-2-yl)oxyacetate is sourced from PubChem (CID 56676435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).