1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol

C14H20F2O — CID 115788963

IUPAC1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H20F2O/c1-4-5-9(2)6-14(17)11-7-10(3)12(15)8-13(11)16/h7-9,14,17H,4-6H2,1-3H3
InChIKeyTYFXBXGRSRMYSX-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.13
Rot. Bonds5

About 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol

1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol (PubChem CID 115788963) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
PubChem CID115788963
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H20F2O/c1-4-5-9(2)6-14(17)11-7-10(3)12(15)8-13(11)16/h7-9,14,17H,4-6H2,1-3H3
InChIKeyTYFXBXGRSRMYSX-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845535
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
CID 115788916
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 79724625
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(2-chloro-4-methylphenyl)-3-methylhexan-1-ol
CID 106859160
1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol
CID 79730496

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol (CID 115788963) is 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol is CCCC(C)CC(O)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol?
The InChIKey is TYFXBXGRSRMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O/c1-4-5-9(2)6-14(17)11-7-10(3)12(15)8-13(11)16/h7-9,14,17H,4-6H2,1-3H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol?
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol has a molecular weight of 242.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol is sourced from PubChem (CID 115788963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).