4-fluoro-2-hex-3-ynyl-1-methoxybenzene

C13H15FO — CID 83943934

IUPAC4-fluoro-2-hex-3-ynyl-1-methoxybenzene
SMILESCCC#CCCc1cc(F)ccc1OC
InChIInChI=1S/C13H15FO/c1-3-4-5-6-7-11-10-12(14)8-9-13(11)15-2/h8-10H,3,6-7H2,1-2H3
InChIKeyLIHYRIYOMDKLKS-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.18
Rot. Bonds3

About 4-fluoro-2-hex-3-ynyl-1-methoxybenzene

4-fluoro-2-hex-3-ynyl-1-methoxybenzene (PubChem CID 83943934) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-fluoro-2-hex-3-ynyl-1-methoxybenzene.

Molecular Properties

Compound Name4-fluoro-2-hex-3-ynyl-1-methoxybenzene
PubChem CID83943934
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name4-fluoro-2-hex-3-ynyl-1-methoxybenzene
SMILESCCC#CCCc1cc(F)ccc1OC
InChIInChI=1S/C13H15FO/c1-3-4-5-6-7-11-10-12(14)8-9-13(11)15-2/h8-10H,3,6-7H2,1-2H3
InChIKeyLIHYRIYOMDKLKS-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hex-3-ynyl-2,3,4-trimethoxybenzene
CID 83934105
1-chloro-5-hex-3-ynyl-2,4-dimethoxybenzene
CID 83943340
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
CID 95441631

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hex-3-ynyl-1-methoxybenzene?
The IUPAC name of 4-fluoro-2-hex-3-ynyl-1-methoxybenzene (CID 83943934) is 4-fluoro-2-hex-3-ynyl-1-methoxybenzene.
What is the SMILES notation for 4-fluoro-2-hex-3-ynyl-1-methoxybenzene?
The canonical SMILES for 4-fluoro-2-hex-3-ynyl-1-methoxybenzene is CCC#CCCc1cc(F)ccc1OC.
What is the InChIKey of 4-fluoro-2-hex-3-ynyl-1-methoxybenzene?
The InChIKey is LIHYRIYOMDKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-3-4-5-6-7-11-10-12(14)8-9-13(11)15-2/h8-10H,3,6-7H2,1-2H3.
What are the key properties of 4-fluoro-2-hex-3-ynyl-1-methoxybenzene?
4-fluoro-2-hex-3-ynyl-1-methoxybenzene has a molecular weight of 206.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hex-3-ynyl-1-methoxybenzene is sourced from PubChem (CID 83943934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).