1-butyl-4-[(3-fluorophenyl)methoxy]benzene

C17H19FO — CID 162218759

IUPAC1-butyl-4-[(3-fluorophenyl)methoxy]benzene
SMILESCCCCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FO/c1-2-3-5-14-8-10-17(11-9-14)19-13-15-6-4-7-16(18)12-15/h4,6-12H,2-3,5,13H2,1H3
InChIKeyNOOZDNOGMLZWFS-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.75
Rot. Bonds6

About 1-butyl-4-[(3-fluorophenyl)methoxy]benzene

1-butyl-4-[(3-fluorophenyl)methoxy]benzene (PubChem CID 162218759) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-butyl-4-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-butyl-4-[(3-fluorophenyl)methoxy]benzene
PubChem CID162218759
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-butyl-4-[(3-fluorophenyl)methoxy]benzene
SMILESCCCCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FO/c1-2-3-5-14-8-10-17(11-9-14)19-13-15-6-4-7-16(18)12-15/h4,6-12H,2-3,5,13H2,1H3
InChIKeyNOOZDNOGMLZWFS-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
acetylene;1-butyl-3-fluorobenzene
CID 142913636
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
3-[(4-butylphenoxy)methyl]bicyclo[4.1.0]hepta-1(7),2,4,6-tetraene
CID 170259911
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
4-[(4-butylphenoxy)methyl]aniline
CID 115492301

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-butyl-4-[(3-fluorophenyl)methoxy]benzene (CID 162218759) is 1-butyl-4-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-butyl-4-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-butyl-4-[(3-fluorophenyl)methoxy]benzene is CCCCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 1-butyl-4-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is NOOZDNOGMLZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-2-3-5-14-8-10-17(11-9-14)19-13-15-6-4-7-16(18)12-15/h4,6-12H,2-3,5,13H2,1H3.
What are the key properties of 1-butyl-4-[(3-fluorophenyl)methoxy]benzene?
1-butyl-4-[(3-fluorophenyl)methoxy]benzene has a molecular weight of 258.34 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 162218759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).