1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene

C12H15FO — CID 134448627

IUPAC1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
SMILESCC(C)=CC(C)Oc1ccccc1F
InChIInChI=1S/C12H15FO/c1-9(2)8-10(3)14-12-7-5-4-6-11(12)13/h4-8,10H,1-3H3
InChIKeyOEKWKWGDWYHGAZ-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.56
Rot. Bonds3

About 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene

1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene (PubChem CID 134448627) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
PubChem CID134448627
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
SMILESCC(C)=CC(C)Oc1ccccc1F
InChIInChI=1S/C12H15FO/c1-9(2)8-10(3)14-12-7-5-4-6-11(12)13/h4-8,10H,1-3H3
InChIKeyOEKWKWGDWYHGAZ-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 166973393
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2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
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N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
ethenyl-(2-fluorophenoxy)-dihydroxyphosphanium
CID 151790243
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111465552
(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
CID 3324699
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
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2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
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2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene?
The IUPAC name of 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene (CID 134448627) is 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene.
What is the SMILES notation for 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene?
The canonical SMILES for 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene is CC(C)=CC(C)Oc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene?
The InChIKey is OEKWKWGDWYHGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-9(2)8-10(3)14-12-7-5-4-6-11(12)13/h4-8,10H,1-3H3.
What are the key properties of 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene?
1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene has a molecular weight of 194.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene is sourced from PubChem (CID 134448627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).