1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene

C12H14F2O2 — CID 130435581

IUPAC1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene
SMILESCOc1c(F)c(C)c(C2CC2)c(OC)c1F
InChIInChI=1S/C12H14F2O2/c1-6-8(7-4-5-7)11(15-2)10(14)12(16-3)9(6)13/h7H,4-5H2,1-3H3
InChIKeyGMZCXLXJGHCSEJ-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.17
Rot. Bonds3

About 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene

1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene (PubChem CID 130435581) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene.

Molecular Properties

Compound Name1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene
PubChem CID130435581
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene
SMILESCOc1c(F)c(C)c(C2CC2)c(OC)c1F
InChIInChI=1S/C12H14F2O2/c1-6-8(7-4-5-7)11(15-2)10(14)12(16-3)9(6)13/h7H,4-5H2,1-3H3
InChIKeyGMZCXLXJGHCSEJ-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dimethoxy-4-methyl-5-pentylbenzene
CID 127028400
1,5-Dimethoxy-3-methyl-2-(3-methylbut-2-enyl)benzene
CID 156014227
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,5-dimethoxy-3-methylbenzene
CID 156018296
Benzene, 1,3-dimethoxy-4,5-dimethyl
CID 524858
4-Butyl-5,7-dimethoxy-1,2-dihydronaphthalene
CID 11218833
1-Cyclopropyl-3,5-dimethoxybenzene
CID 58223392
3-Ethyl-5-methoxy-2-(trifluoromethyl)phenol
CID 20488392
1-(2,6-Difluorophenyl)-2,4-dimethoxybenzene
CID 51050866
1,5-Difluoro-2,4-dimethoxy-3,6-dimethylbenzene
CID 53828480
1,3-Diethoxy-2,4,5-trifluoro-6-methylbenzene
CID 54258237
1,2,4-Trifluoro-3,5-dimethoxy-6-methylbenzene
CID 54368539
1,3-Difluoro-2,4,6-trimethoxy-5-methylbenzene
CID 54431486

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene?
The IUPAC name of 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene (CID 130435581) is 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene.
What is the SMILES notation for 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene?
The canonical SMILES for 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene is COc1c(F)c(C)c(C2CC2)c(OC)c1F.
What is the InChIKey of 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene?
The InChIKey is GMZCXLXJGHCSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-6-8(7-4-5-7)11(15-2)10(14)12(16-3)9(6)13/h7H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene?
1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene has a molecular weight of 228.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,5-difluoro-2,4-dimethoxy-6-methylbenzene is sourced from PubChem (CID 130435581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).