1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol

C13H18F2O2 — CID 115836226

IUPAC1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H18F2O2/c1-8-4-5-10(14)11(12(8)15)13(16)9(2)6-7-17-3/h4-5,9,13,16H,6-7H2,1-3H3
InChIKeyIHWDOBBCIFEEED-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.98
Rot. Bonds5

About 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol

1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol (PubChem CID 115836226) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
PubChem CID115836226
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H18F2O2/c1-8-4-5-10(14)11(12(8)15)13(16)9(2)6-7-17-3/h4-5,9,13,16H,6-7H2,1-3H3
InChIKeyIHWDOBBCIFEEED-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
3-Methylbenzyl alcohol
CID 11476
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
Bay 27-9955
CID 5311277
alpha-Cyclohexylbenzenemethanol
CID 95668
fenipentol, (S)-
CID 6992754
(S)-alpha-(Trifluoromethyl)benzyl alcohol
CID 95556
1-Phenylbutan-1-ol
CID 179386

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol (CID 115836226) is 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol is COCCC(C)C(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
The InChIKey is IHWDOBBCIFEEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-8-4-5-10(14)11(12(8)15)13(16)9(2)6-7-17-3/h4-5,9,13,16H,6-7H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol has a molecular weight of 244.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 115836226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).