fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene

C10H13FO5S — CID 175557929

IUPACfluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene
SMILESC=CCc1cccc(OC)c1.O=S(=O)(O)OF
InChIInChI=1S/C10H12O.FHO4S/c1-3-5-9-6-4-7-10(8-9)11-2;1-5-6(2,3)4/h3-4,6-8H,1,5H2,2H3;(H,2,3,4)
InChIKeyOJMXIZWBZVBGQN-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.11
Rot. Bonds4

About fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene

fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene (PubChem CID 175557929) has the molecular formula C10H13FO5S and a molecular weight of 264.27 g/mol. Its IUPAC name is fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene.

Molecular Properties

Compound Namefluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene
PubChem CID175557929
Molecular FormulaC10H13FO5S
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Namefluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene
SMILESC=CCc1cccc(OC)c1.O=S(=O)(O)OF
InChIInChI=1S/C10H12O.FHO4S/c1-3-5-9-6-4-7-10(8-9)11-2;1-5-6(2,3)4/h3-4,6-8H,1,5H2,2H3;(H,2,3,4)
InChIKeyOJMXIZWBZVBGQN-UHFFFAOYSA-N
XLogP2.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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1-prop-2-enoxy-3-prop-2-enylbenzene
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2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
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2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
1-prop-2-enyl-3-propoxybenzene
CID 91655995
2-(3-methoxyphenyl)ethanimine
CID 23345218
(3-methoxyphenyl)(113C)methanol
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1-methoxy-3-(3-phosphorosoprop-2-enyl)benzene
CID 139647655

Frequently Asked Questions

What is the IUPAC name of fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene?
The IUPAC name of fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene (CID 175557929) is fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene.
What is the SMILES notation for fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene?
The canonical SMILES for fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene is C=CCc1cccc(OC)c1.O=S(=O)(O)OF.
What is the InChIKey of fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene?
The InChIKey is OJMXIZWBZVBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.FHO4S/c1-3-5-9-6-4-7-10(8-9)11-2;1-5-6(2,3)4/h3-4,6-8H,1,5H2,2H3;(H,2,3,4).
What are the key properties of fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene?
fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene has a molecular weight of 264.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene is sourced from PubChem (CID 175557929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).