3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene

C11H13FO2 — CID 13487722

IUPAC3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)c(OC)c1F
InChIInChI=1S/C11H13FO2/c1-4-5-8-6-7-9(13-2)11(14-3)10(8)12/h4,6-7H,1,5H2,2-3H3
InChIKeyQZMDHDPMYDFKCA-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.57
Rot. Bonds4

About 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene

3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene (PubChem CID 13487722) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
PubChem CID13487722
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)c(OC)c1F
InChIInChI=1S/C11H13FO2/c1-4-5-8-6-7-9(13-2)11(14-3)10(8)12/h4,6-7H,1,5H2,2-3H3
InChIKeyQZMDHDPMYDFKCA-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
2-fluoro-3,4-dimethoxybenzenethiol
CID 130971498
2-fluoro-1-(isocyanatomethyl)-3,4-dimethoxybenzene
CID 117300980
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
methyl 4-(2-fluoro-3,4-dimethoxyphenyl)butanoate
CID 58147667
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
CID 59727862

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene?
The IUPAC name of 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene (CID 13487722) is 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene?
The canonical SMILES for 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene is C=CCc1ccc(OC)c(OC)c1F.
What is the InChIKey of 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene?
The InChIKey is QZMDHDPMYDFKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-4-5-8-6-7-9(13-2)11(14-3)10(8)12/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene?
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene has a molecular weight of 196.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 13487722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).