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

C16H17FO — CID 91171700

IUPAC1-fluoro-2-(4-phenylbutoxy)benzene
SMILESFc1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C16H17FO/c17-15-11-4-5-12-16(15)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2
InChIKeyKZWGOJPRBKORHL-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.23
Rot. Bonds6

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

1-fluoro-2-(4-phenylbutoxy)benzene (PubChem CID 91171700) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-fluoro-2-(4-phenylbutoxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-(4-phenylbutoxy)benzene
PubChem CID91171700
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-fluoro-2-(4-phenylbutoxy)benzene
SMILESFc1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C16H17FO/c17-15-11-4-5-12-16(15)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2
InChIKeyKZWGOJPRBKORHL-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.23
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

4-(2-fluorophenoxy)butan-1-ol
CID 43509993
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
2,6-bis(5-phenylpentoxy)phenol
CID 57224356
4-[2-(2-fluorophenoxy)ethyl]phenol
CID 154643282
1-[3-fluoro-4-(4-phenylbutoxy)phenyl]ethanone
CID 114333678
3-fluoro-4-(3-phenylpropoxy)aniline
CID 26190137
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
CID 78938385
5-fluoro-2-methyl-4-(4-phenylbutoxy)aniline
CID 114416119
2-fluoro-5-[2-(5-phenylpentoxy)phenyl]furan
CID 141337966
2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene
CID 137452329
1,4-dichloro-2-(4-phenylbutoxy)benzene
CID 114334883

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-phenylbutoxy)benzene?
The IUPAC name of 1-fluoro-2-(4-phenylbutoxy)benzene (CID 91171700) is 1-fluoro-2-(4-phenylbutoxy)benzene.
What is the SMILES notation for 1-fluoro-2-(4-phenylbutoxy)benzene?
The canonical SMILES for 1-fluoro-2-(4-phenylbutoxy)benzene is Fc1ccccc1OCCCCc1ccccc1.
What is the InChIKey of 1-fluoro-2-(4-phenylbutoxy)benzene?
The InChIKey is KZWGOJPRBKORHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c17-15-11-4-5-12-16(15)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2.
What are the key properties of 1-fluoro-2-(4-phenylbutoxy)benzene?
1-fluoro-2-(4-phenylbutoxy)benzene has a molecular weight of 244.31 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-phenylbutoxy)benzene is sourced from PubChem (CID 91171700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).