2-(difluoromethoxy)-3,4-dimethylphenol

C9H10F2O2 — CID 131190309

IUPAC2-(difluoromethoxy)-3,4-dimethylphenol
SMILESCc1ccc(O)c(OC(F)F)c1C
InChIInChI=1S/C9H10F2O2/c1-5-3-4-7(12)8(6(5)2)13-9(10)11/h3-4,9,12H,1-2H3
InChIKeyCJWGCLKATUVWJY-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.61
Rot. Bonds2

About 2-(difluoromethoxy)-3,4-dimethylphenol

2-(difluoromethoxy)-3,4-dimethylphenol (PubChem CID 131190309) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(difluoromethoxy)-3,4-dimethylphenol
PubChem CID131190309
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2-(difluoromethoxy)-3,4-dimethylphenol
SMILESCc1ccc(O)c(OC(F)F)c1C
InChIInChI=1S/C9H10F2O2/c1-5-3-4-7(12)8(6(5)2)13-9(10)11/h3-4,9,12H,1-2H3
InChIKeyCJWGCLKATUVWJY-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenoxy)-3,4-dimethylphenol
CID 175742174
4-bromo-2-(difluoromethoxy)-3-fluorophenol
CID 118834241
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
CID 131616132
2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
CID 131525568
1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
CID 131188890
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene
CID 164895658
(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
CID 135067853
1-[2-(difluoromethoxy)-6-iodo-3-methylphenyl]ethanone
CID 131616291
1-[2-(difluoromethoxy)-3-iodo-4-methylphenyl]ethanone
CID 131629632
1-[2-amino-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171027157

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3,4-dimethylphenol?
The IUPAC name of 2-(difluoromethoxy)-3,4-dimethylphenol (CID 131190309) is 2-(difluoromethoxy)-3,4-dimethylphenol.
What is the SMILES notation for 2-(difluoromethoxy)-3,4-dimethylphenol?
The canonical SMILES for 2-(difluoromethoxy)-3,4-dimethylphenol is Cc1ccc(O)c(OC(F)F)c1C.
What is the InChIKey of 2-(difluoromethoxy)-3,4-dimethylphenol?
The InChIKey is CJWGCLKATUVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-5-3-4-7(12)8(6(5)2)13-9(10)11/h3-4,9,12H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-3,4-dimethylphenol?
2-(difluoromethoxy)-3,4-dimethylphenol has a molecular weight of 188.17 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3,4-dimethylphenol is sourced from PubChem (CID 131190309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).