2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane

C13H20F2O2 — CID 178095576

IUPAC2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
SMILESCC.COc1c(F)cc(C(C)(C)O)c(C)c1F
InChIInChI=1S/C11H14F2O2.C2H6/c1-6-7(11(2,3)14)5-8(12)10(15-4)9(6)13;1-2/h5,14H,1-4H3;1-2H3
InChIKeyDONWEHLQRKSQKP-UHFFFAOYSA-N
MW246.30 g/mol
LogP3.54
Rot. Bonds2

About 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane

2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane (PubChem CID 178095576) has the molecular formula C13H20F2O2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
PubChem CID178095576
Molecular FormulaC13H20F2O2
Molecular Weight246.30 g/mol
Exact Mass246.14
IUPAC Name2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
SMILESCC.COc1c(F)cc(C(C)(C)O)c(C)c1F
InChIInChI=1S/C11H14F2O2.C2H6/c1-6-7(11(2,3)14)5-8(12)10(15-4)9(6)13;1-2/h5,14H,1-4H3;1-2H3
InChIKeyDONWEHLQRKSQKP-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410038
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane?
The IUPAC name of 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane (CID 178095576) is 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane.
What is the SMILES notation for 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane?
The canonical SMILES for 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane is CC.COc1c(F)cc(C(C)(C)O)c(C)c1F.
What is the InChIKey of 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane?
The InChIKey is DONWEHLQRKSQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2.C2H6/c1-6-7(11(2,3)14)5-8(12)10(15-4)9(6)13;1-2/h5,14H,1-4H3;1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane?
2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane has a molecular weight of 246.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane is sourced from PubChem (CID 178095576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).