3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride

C10H13FO4S — CID 165453369

IUPAC3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
SMILESCOc1ccccc1OCCCS(=O)(=O)F
InChIInChI=1S/C10H13FO4S/c1-14-9-5-2-3-6-10(9)15-7-4-8-16(11,12)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyDNHRJUVACBYUPE-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.76
Rot. Bonds6

About 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride

3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride (PubChem CID 165453369) has the molecular formula C10H13FO4S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
PubChem CID165453369
Molecular FormulaC10H13FO4S
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
SMILESCOc1ccccc1OCCCS(=O)(=O)F
InChIInChI=1S/C10H13FO4S/c1-14-9-5-2-3-6-10(9)15-7-4-8-16(11,12)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyDNHRJUVACBYUPE-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenoxy)propane-1-sulfonyl fluoride
CID 165461018
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene
CID 167930009
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
CID 165461012
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
4-(2-methoxyphenoxy)butanoyl chloride
CID 82041131
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
3-methoxypropane-1-sulfonyl fluoride
CID 46899852
3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine
CID 81197862

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride?
The IUPAC name of 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride (CID 165453369) is 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride?
The canonical SMILES for 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride is COc1ccccc1OCCCS(=O)(=O)F.
What is the InChIKey of 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride?
The InChIKey is DNHRJUVACBYUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4S/c1-14-9-5-2-3-6-10(9)15-7-4-8-16(11,12)13/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride?
3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride has a molecular weight of 248.27 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride is sourced from PubChem (CID 165453369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).