1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol

C11H12F2O — CID 115817481

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C11H12F2O/c1-6(2)11(14)9-8(12)5-4-7(3)10(9)13/h4-5,11,14H,1H2,2-3H3
InChIKeyVPMWBVVWBUUWIP-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.88
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol

1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol (PubChem CID 115817481) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
PubChem CID115817481
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C11H12F2O/c1-6(2)11(14)9-8(12)5-4-7(3)10(9)13/h4-5,11,14H,1H2,2-3H3
InChIKeyVPMWBVVWBUUWIP-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
CID 115814951
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
2-chloro-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575388
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(1S,2R)-1-amino-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131531644
(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol
CID 82822778
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol (CID 115817481) is 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is VPMWBVVWBUUWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-6(2)11(14)9-8(12)5-4-7(3)10(9)13/h4-5,11,14H,1H2,2-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol?
1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 198.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 115817481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).