3-(difluoromethoxy)-4,5-dimethylphenol

C9H10F2O2 — CID 131073312

IUPAC3-(difluoromethoxy)-4,5-dimethylphenol
SMILESCc1cc(O)cc(OC(F)F)c1C
InChIInChI=1S/C9H10F2O2/c1-5-3-7(12)4-8(6(5)2)13-9(10)11/h3-4,9,12H,1-2H3
InChIKeyZXDYTAPTDZASFN-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.61
Rot. Bonds2

About 3-(difluoromethoxy)-4,5-dimethylphenol

3-(difluoromethoxy)-4,5-dimethylphenol (PubChem CID 131073312) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4,5-dimethylphenol.

Molecular Properties

Compound Name3-(difluoromethoxy)-4,5-dimethylphenol
PubChem CID131073312
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name3-(difluoromethoxy)-4,5-dimethylphenol
SMILESCc1cc(O)cc(OC(F)F)c1C
InChIInChI=1S/C9H10F2O2/c1-5-3-7(12)4-8(6(5)2)13-9(10)11/h3-4,9,12H,1-2H3
InChIKeyZXDYTAPTDZASFN-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

methane;3,4,5-trimethylphenol
CID 174273113
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
ethyl 2-[2-cyano-3-(difluoromethoxy)-5-hydroxyphenyl]acetate
CID 134654612
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925
2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
CID 134619501
1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
1-[3-(difluoromethoxy)-4-fluoro-5-methylphenyl]ethanone
CID 131616126
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
4-(difluoromethoxy)-5-fluoro-2-methylbenzoic acid
CID 131290844

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4,5-dimethylphenol?
The IUPAC name of 3-(difluoromethoxy)-4,5-dimethylphenol (CID 131073312) is 3-(difluoromethoxy)-4,5-dimethylphenol.
What is the SMILES notation for 3-(difluoromethoxy)-4,5-dimethylphenol?
The canonical SMILES for 3-(difluoromethoxy)-4,5-dimethylphenol is Cc1cc(O)cc(OC(F)F)c1C.
What is the InChIKey of 3-(difluoromethoxy)-4,5-dimethylphenol?
The InChIKey is ZXDYTAPTDZASFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-5-3-7(12)4-8(6(5)2)13-9(10)11/h3-4,9,12H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-4,5-dimethylphenol?
3-(difluoromethoxy)-4,5-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 3-(difluoromethoxy)-4,5-dimethylphenol is sourced from PubChem (CID 131073312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).