12-phenoxydodecoxybenzene

C24H34O2 — CID 11051218

IUPAC12-phenoxydodecoxybenzene
SMILESc1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1
InChIInChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2
InChIKeyMGDFXJZWAHCAMS-UHFFFAOYSA-N
MW354.53 g/mol
LogP7.05
Rot. Bonds15

About 12-phenoxydodecoxybenzene

12-phenoxydodecoxybenzene (PubChem CID 11051218) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 12-phenoxydodecoxybenzene.

Molecular Properties

Compound Name12-phenoxydodecoxybenzene
PubChem CID11051218
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name12-phenoxydodecoxybenzene
SMILESc1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1
InChIInChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2
InChIKeyMGDFXJZWAHCAMS-UHFFFAOYSA-N
XLogP7.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 57.05
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 12-phenoxydodecoxybenzene?
The IUPAC name of 12-phenoxydodecoxybenzene (CID 11051218) is 12-phenoxydodecoxybenzene.
What is the SMILES notation for 12-phenoxydodecoxybenzene?
The canonical SMILES for 12-phenoxydodecoxybenzene is c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1.
What is the InChIKey of 12-phenoxydodecoxybenzene?
The InChIKey is MGDFXJZWAHCAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2.
What are the key properties of 12-phenoxydodecoxybenzene?
12-phenoxydodecoxybenzene has a molecular weight of 354.53 g/mol, XLogP of 7.05, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenoxydodecoxybenzene is sourced from PubChem (CID 11051218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).