1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene

C17H18F2O2 — CID 14765969

IUPAC1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene
SMILESCCCCOc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H18F2O2/c1-2-3-12-20-15-8-4-13(5-9-15)14-6-10-16(11-7-14)21-17(18)19/h4-11,17H,2-3,12H2,1H3
InChIKeyGBLROPZWJOMINK-UHFFFAOYSA-N
MW292.33 g/mol
LogP5.13
Rot. Bonds7

About 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene

1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene (PubChem CID 14765969) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene
PubChem CID14765969
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene
SMILESCCCCOc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H18F2O2/c1-2-3-12-20-15-8-4-13(5-9-15)14-6-10-16(11-7-14)21-17(18)19/h4-11,17H,2-3,12H2,1H3
InChIKeyGBLROPZWJOMINK-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.33
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene?
The IUPAC name of 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene (CID 14765969) is 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene is CCCCOc1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene?
The InChIKey is GBLROPZWJOMINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-2-3-12-20-15-8-4-13(5-9-15)14-6-10-16(11-7-14)21-17(18)19/h4-11,17H,2-3,12H2,1H3.
What are the key properties of 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene?
1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene has a molecular weight of 292.33 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[4-(difluoromethoxy)phenyl]benzene is sourced from PubChem (CID 14765969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).