1-but-3-enoxy-3-fluorobenzene;methanol

C11H15FO2 — CID 162380049

IUPAC1-but-3-enoxy-3-fluorobenzene;methanol
SMILESC=CCCOc1cccc(F)c1.CO
InChIInChI=1S/C10H11FO.CH4O/c1-2-3-7-12-10-6-4-5-9(11)8-10;1-2/h2,4-6,8H,1,3,7H2;2H,1H3
InChIKeyKVAONGHHCFDBJC-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.39
Rot. Bonds4

About 1-but-3-enoxy-3-fluorobenzene;methanol

1-but-3-enoxy-3-fluorobenzene;methanol (PubChem CID 162380049) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-but-3-enoxy-3-fluorobenzene;methanol.

Molecular Properties

Compound Name1-but-3-enoxy-3-fluorobenzene;methanol
PubChem CID162380049
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-but-3-enoxy-3-fluorobenzene;methanol
SMILESC=CCCOc1cccc(F)c1.CO
InChIInChI=1S/C10H11FO.CH4O/c1-2-3-7-12-10-6-4-5-9(11)8-10;1-2/h2,4-6,8H,1,3,7H2;2H,1H3
InChIKeyKVAONGHHCFDBJC-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-pent-4-enoxybenzene
CID 64764365
1-fluoro-3-hex-3-enoxybenzene
CID 91033540
2-(3-fluorophenoxy)ethanethiol
CID 79002331
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
1-ethyl-2-[2-(3-fluorophenoxy)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925495
1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
CID 145145083
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
anisole;but-3-enoxybenzene
CID 174761838
2-(3-but-3-enoxyphenyl)acetonitrile
CID 70597705
6-(3-fluorophenoxy)hexan-3-one
CID 106801939

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-3-fluorobenzene;methanol?
The IUPAC name of 1-but-3-enoxy-3-fluorobenzene;methanol (CID 162380049) is 1-but-3-enoxy-3-fluorobenzene;methanol.
What is the SMILES notation for 1-but-3-enoxy-3-fluorobenzene;methanol?
The canonical SMILES for 1-but-3-enoxy-3-fluorobenzene;methanol is C=CCCOc1cccc(F)c1.CO.
What is the InChIKey of 1-but-3-enoxy-3-fluorobenzene;methanol?
The InChIKey is KVAONGHHCFDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO.CH4O/c1-2-3-7-12-10-6-4-5-9(11)8-10;1-2/h2,4-6,8H,1,3,7H2;2H,1H3.
What are the key properties of 1-but-3-enoxy-3-fluorobenzene;methanol?
1-but-3-enoxy-3-fluorobenzene;methanol has a molecular weight of 198.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-3-fluorobenzene;methanol is sourced from PubChem (CID 162380049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).