2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene

C12H15FO — CID 58566552

IUPAC2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene
SMILESCOc1cccc(/C=C/C(C)C)c1F
InChIInChI=1S/C12H15FO/c1-9(2)7-8-10-5-4-6-11(14-3)12(10)13/h4-9H,1-3H3/b8-7+
InChIKeyJYGBGPVGQSLHGX-BQYQJAHWSA-N
MW194.25 g/mol
LogP3.50
Rot. Bonds3

About 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene

2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene (PubChem CID 58566552) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene
PubChem CID58566552
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene
SMILESCOc1cccc(/C=C/C(C)C)c1F
InChIInChI=1S/C12H15FO/c1-9(2)7-8-10-5-4-6-11(14-3)12(10)13/h4-9H,1-3H3/b8-7+
InChIKeyJYGBGPVGQSLHGX-BQYQJAHWSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(2-fluoro-3-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 82811076
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
4-(2-methoxyphenyl)but-3-en-2-ol
CID 72800651
(E,2S,3S,4R,5R)-7-[2-(hydroxymethyl)-3-methoxyphenyl]hept-6-ene-2,3,4,5-tetrol
CID 122398116
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170
(4Z)-4-[(2-fluoro-3-methoxyphenyl)methylidene]azepane
CID 104795655
(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine
CID 153397663
(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
CID 103092417
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine
CID 131240457
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene?
The IUPAC name of 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene (CID 58566552) is 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene is COc1cccc(/C=C/C(C)C)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene?
The InChIKey is JYGBGPVGQSLHGX-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15FO/c1-9(2)7-8-10-5-4-6-11(14-3)12(10)13/h4-9H,1-3H3/b8-7+.
What are the key properties of 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene?
2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene has a molecular weight of 194.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 58566552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).