1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol

C12H14F2O — CID 115817051

IUPAC1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-6,10,15H,7H2,1-2H3
InChIKeyTVJAPLGIMWCDJF-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.83
Rot. Bonds3

About 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol

1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol (PubChem CID 115817051) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol
PubChem CID115817051
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-6,10,15H,7H2,1-2H3
InChIKeyTVJAPLGIMWCDJF-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.83
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

1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2-chloro-6-fluorophenyl)-4-methylpent-3-en-2-ol
CID 115817012
4-methyl-1-(2-methylphenyl)pent-3-en-2-ol
CID 115817148
1-(2,3-difluorophenyl)-4,4-dimethylpentan-2-ol
CID 63891069
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 62606503
2-[(2,3-difluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83135397
1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713005
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828875
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol (CID 115817051) is 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol is CC(C)=CC(O)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol?
The InChIKey is TVJAPLGIMWCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-6,10,15H,7H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol?
1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol has a molecular weight of 212.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol is sourced from PubChem (CID 115817051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).