2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene

C17H19FO — CID 107171456

IUPAC2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene
SMILESCc1ccc(OCCCCc2ccccc2)cc1F
InChIInChI=1S/C17H19FO/c1-14-10-11-16(13-17(14)18)19-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKeyXDHKDHXPACNIPC-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.54
Rot. Bonds6

About 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene

2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene (PubChem CID 107171456) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene
PubChem CID107171456
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene
SMILESCc1ccc(OCCCCc2ccccc2)cc1F
InChIInChI=1S/C17H19FO/c1-14-10-11-16(13-17(14)18)19-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKeyXDHKDHXPACNIPC-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
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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Related Compounds

1,3-difluoro-2-methyl-5-(3-phenylpropoxy)benzene
CID 59931437
2-fluoro-4-(4-phenylbutoxy)benzonitrile
CID 114335058
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-bromo-1,3-dimethyl-5-(4-phenylbutoxy)benzene
CID 107723846
9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
5-fluoro-2-methyl-4-(4-phenylbutoxy)aniline
CID 114416119
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2,6-dimethyl-4-(4-phenylbutoxy)benzoic acid
CID 139623906

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene?
The IUPAC name of 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene (CID 107171456) is 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene is Cc1ccc(OCCCCc2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene?
The InChIKey is XDHKDHXPACNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-14-10-11-16(13-17(14)18)19-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3.
What are the key properties of 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene?
2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene has a molecular weight of 258.34 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene is sourced from PubChem (CID 107171456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).