1-(difluoromethoxy)-3-methoxy-5-methylbenzene

C9H10F2O2 — CID 118268715

IUPAC1-(difluoromethoxy)-3-methoxy-5-methylbenzene
SMILESCOc1cc(C)cc(OC(F)F)c1
InChIInChI=1S/C9H10F2O2/c1-6-3-7(12-2)5-8(4-6)13-9(10)11/h3-5,9H,1-2H3
InChIKeyOEVRQURCXFKUSJ-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.61
Rot. Bonds3

About 1-(difluoromethoxy)-3-methoxy-5-methylbenzene

1-(difluoromethoxy)-3-methoxy-5-methylbenzene (PubChem CID 118268715) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methoxy-5-methylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methoxy-5-methylbenzene
PubChem CID118268715
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name1-(difluoromethoxy)-3-methoxy-5-methylbenzene
SMILESCOc1cc(C)cc(OC(F)F)c1
InChIInChI=1S/C9H10F2O2/c1-6-3-7(12-2)5-8(4-6)13-9(10)11/h3-5,9H,1-2H3
InChIKeyOEVRQURCXFKUSJ-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-methoxy-5-methylbenzene?
The IUPAC name of 1-(difluoromethoxy)-3-methoxy-5-methylbenzene (CID 118268715) is 1-(difluoromethoxy)-3-methoxy-5-methylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-methoxy-5-methylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-3-methoxy-5-methylbenzene is COc1cc(C)cc(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-methoxy-5-methylbenzene?
The InChIKey is OEVRQURCXFKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-6-3-7(12-2)5-8(4-6)13-9(10)11/h3-5,9H,1-2H3.
What are the key properties of 1-(difluoromethoxy)-3-methoxy-5-methylbenzene?
1-(difluoromethoxy)-3-methoxy-5-methylbenzene has a molecular weight of 188.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methoxy-5-methylbenzene is sourced from PubChem (CID 118268715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).