5-fluoro-2-methylphenol;2-methylprop-2-enoic acid

C11H13FO3 — CID 175752999

IUPAC5-fluoro-2-methylphenol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.Cc1ccc(F)cc1O
InChIInChI=1S/C7H7FO.C4H6O2/c1-5-2-3-6(8)4-7(5)9;1-3(2)4(5)6/h2-4,9H,1H3;1H2,2H3,(H,5,6)
InChIKeyDUBOKMFQYHSEDW-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.49
Rot. Bonds1

About 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid

5-fluoro-2-methylphenol;2-methylprop-2-enoic acid (PubChem CID 175752999) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name5-fluoro-2-methylphenol;2-methylprop-2-enoic acid
PubChem CID175752999
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-fluoro-2-methylphenol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.Cc1ccc(F)cc1O
InChIInChI=1S/C7H7FO.C4H6O2/c1-5-2-3-6(8)4-7(5)9;1-3(2)4(5)6/h2-4,9H,1H3;1H2,2H3,(H,5,6)
InChIKeyDUBOKMFQYHSEDW-UHFFFAOYSA-N
XLogP2.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid?
The IUPAC name of 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid (CID 175752999) is 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid.
What is the SMILES notation for 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid?
The canonical SMILES for 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.Cc1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid?
The InChIKey is DUBOKMFQYHSEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO.C4H6O2/c1-5-2-3-6(8)4-7(5)9;1-3(2)4(5)6/h2-4,9H,1H3;1H2,2H3,(H,5,6).
What are the key properties of 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid?
5-fluoro-2-methylphenol;2-methylprop-2-enoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylphenol;2-methylprop-2-enoic acid is sourced from PubChem (CID 175752999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).