11-phenoxyundecoxybenzene

C23H32O2 — CID 71343858

IUPAC11-phenoxyundecoxybenzene
SMILESc1ccc(OCCCCCCCCCCCOc2ccccc2)cc1
InChIInChI=1S/C23H32O2/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2
InChIKeyZPWUBAJYGXZRQA-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.66
Rot. Bonds14

About 11-phenoxyundecoxybenzene

11-phenoxyundecoxybenzene (PubChem CID 71343858) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 11-phenoxyundecoxybenzene.

Molecular Properties

Compound Name11-phenoxyundecoxybenzene
PubChem CID71343858
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name11-phenoxyundecoxybenzene
SMILESc1ccc(OCCCCCCCCCCCOc2ccccc2)cc1
InChIInChI=1S/C23H32O2/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2
InChIKeyZPWUBAJYGXZRQA-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 11-phenoxyundecoxybenzene?
The IUPAC name of 11-phenoxyundecoxybenzene (CID 71343858) is 11-phenoxyundecoxybenzene.
What is the SMILES notation for 11-phenoxyundecoxybenzene?
The canonical SMILES for 11-phenoxyundecoxybenzene is c1ccc(OCCCCCCCCCCCOc2ccccc2)cc1.
What is the InChIKey of 11-phenoxyundecoxybenzene?
The InChIKey is ZPWUBAJYGXZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2.
What are the key properties of 11-phenoxyundecoxybenzene?
11-phenoxyundecoxybenzene has a molecular weight of 340.51 g/mol, XLogP of 6.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenoxyundecoxybenzene is sourced from PubChem (CID 71343858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).