1-butoxy-4-phenoxybenzene

C16H18O2 — CID 44562812

IUPAC1-butoxy-4-phenoxybenzene
SMILESCCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H18O2/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3
InChIKeyNSCFOXCKETUFMF-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.66
Rot. Bonds6

About 1-butoxy-4-phenoxybenzene

1-butoxy-4-phenoxybenzene (PubChem CID 44562812) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-butoxy-4-phenoxybenzene.

Molecular Properties

Compound Name1-butoxy-4-phenoxybenzene
PubChem CID44562812
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-butoxy-4-phenoxybenzene
SMILESCCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H18O2/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3
InChIKeyNSCFOXCKETUFMF-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.66
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 1-butoxy-4-phenoxybenzene?
The IUPAC name of 1-butoxy-4-phenoxybenzene (CID 44562812) is 1-butoxy-4-phenoxybenzene.
What is the SMILES notation for 1-butoxy-4-phenoxybenzene?
The canonical SMILES for 1-butoxy-4-phenoxybenzene is CCCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-butoxy-4-phenoxybenzene?
The InChIKey is NSCFOXCKETUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3.
What are the key properties of 1-butoxy-4-phenoxybenzene?
1-butoxy-4-phenoxybenzene has a molecular weight of 242.32 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-phenoxybenzene is sourced from PubChem (CID 44562812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).