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

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Related Compounds

4-methoxy-2-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
CID 115836119
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
1-(2,6-difluoro-3-methylphenyl)-2,2-diethoxyethanol
CID 82822285
(2,6-difluoro-3-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 82799843
2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 82816575
1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836125
1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol
CID 116752695
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171264115
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1,3-difluoro-4-methylbenzene
CID 82799024

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).