3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol

C13H18F2O3 — CID 175334356

IUPAC3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(F)c(F)c1OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H18F2O3/c1-12(2,16)13(3,4)18-11-9(17-5)7-6-8(14)10(11)15/h6-7,16H,1-5H3
InChIKeyVVWGUNRNDDKTJD-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.90
Rot. Bonds4

About 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol

3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol (PubChem CID 175334356) has the molecular formula C13H18F2O3 and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol
PubChem CID175334356
Molecular FormulaC13H18F2O3
Molecular Weight260.28 g/mol
Exact Mass260.12
IUPAC Name3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(F)c(F)c1OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H18F2O3/c1-12(2,16)13(3,4)18-11-9(17-5)7-6-8(14)10(11)15/h6-7,16H,1-5H3
InChIKeyVVWGUNRNDDKTJD-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
CID 156807715
CID 156807715
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 166607816
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 117289253
2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
CID 84782823
N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
CID 117281308
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
CID 151897513
CID 151897513

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol (CID 175334356) is 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol is COc1ccc(F)c(F)c1OC(C)(C)C(C)(C)O.
What is the InChIKey of 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol?
The InChIKey is VVWGUNRNDDKTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O3/c1-12(2,16)13(3,4)18-11-9(17-5)7-6-8(14)10(11)15/h6-7,16H,1-5H3.
What are the key properties of 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol?
3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol has a molecular weight of 260.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 175334356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).