1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol

C14H20F2O2 — CID 116752695

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol
SMILESCCC(CC)(OC)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H20F2O2/c1-5-14(6-2,18-4)13(17)11-10(15)8-7-9(3)12(11)16/h7-8,13,17H,5-6H2,1-4H3
InChIKeyPRJNWFPIIASAPE-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.51
Rot. Bonds5

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

1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol (PubChem CID 116752695) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol
PubChem CID116752695
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol
SMILESCCC(CC)(OC)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H20F2O2/c1-5-14(6-2,18-4)13(17)11-10(15)8-7-9(3)12(11)16/h7-8,13,17H,5-6H2,1-4H3
InChIKeyPRJNWFPIIASAPE-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol (CID 116752695) is 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol is CCC(CC)(OC)C(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol?
The InChIKey is PRJNWFPIIASAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-5-14(6-2,18-4)13(17)11-10(15)8-7-9(3)12(11)16/h7-8,13,17H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol?
1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol has a molecular weight of 258.31 g/mol, XLogP of 3.51, 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)-2-ethyl-2-methoxybutan-1-ol is sourced from PubChem (CID 116752695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).