1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol

C13H18F2O — CID 115789411

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H18F2O/c1-4-8(2)7-11(16)12-10(14)6-5-9(3)13(12)15/h5-6,8,11,16H,4,7H2,1-3H3
InChIKeyURQAZZSKDXGXOJ-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.74
Rot. Bonds4

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

1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol (PubChem CID 115789411) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol
PubChem CID115789411
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H18F2O/c1-4-8(2)7-11(16)12-10(14)6-5-9(3)13(12)15/h5-6,8,11,16H,4,7H2,1-3H3
InChIKeyURQAZZSKDXGXOJ-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 82815536
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 82819469
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 82823028
1-(2,6-difluoro-3-methylphenyl)-2,2-diethoxyethanol
CID 82822285
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82816292

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol (CID 115789411) is 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol is CCC(C)CC(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol?
The InChIKey is URQAZZSKDXGXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-4-8(2)7-11(16)12-10(14)6-5-9(3)13(12)15/h5-6,8,11,16H,4,7H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol?
1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 3.74, 4 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)-3-methylpentan-1-ol is sourced from PubChem (CID 115789411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).