1-dodecyl-2-phenoxybenzene

C24H34O — CID 18417939

IUPAC1-dodecyl-2-phenoxybenzene
SMILESCCCCCCCCCCCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3
InChIKeyLGNQGTFARHLQFB-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.94
Rot. Bonds13

About 1-dodecyl-2-phenoxybenzene

1-dodecyl-2-phenoxybenzene (PubChem CID 18417939) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-dodecyl-2-phenoxybenzene.

Molecular Properties

Compound Name1-dodecyl-2-phenoxybenzene
PubChem CID18417939
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-dodecyl-2-phenoxybenzene
SMILESCCCCCCCCCCCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3
InChIKeyLGNQGTFARHLQFB-UHFFFAOYSA-N
XLogP7.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-dodecyl-2-phenoxybenzene?
The IUPAC name of 1-dodecyl-2-phenoxybenzene (CID 18417939) is 1-dodecyl-2-phenoxybenzene.
What is the SMILES notation for 1-dodecyl-2-phenoxybenzene?
The canonical SMILES for 1-dodecyl-2-phenoxybenzene is CCCCCCCCCCCCc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-dodecyl-2-phenoxybenzene?
The InChIKey is LGNQGTFARHLQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3.
What are the key properties of 1-dodecyl-2-phenoxybenzene?
1-dodecyl-2-phenoxybenzene has a molecular weight of 338.54 g/mol, XLogP of 7.94, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-phenoxybenzene is sourced from PubChem (CID 18417939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).