1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene

C11H10F2O — CID 125478600

IUPAC1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C2=CC2(F)F)c(C)c1
InChIInChI=1S/C11H10F2O/c1-7-5-8(14-2)3-4-9(7)10-6-11(10,12)13/h3-6H,1-2H3
InChIKeyONQJZKYSEMKZQY-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.04
Rot. Bonds2

About 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene

1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene (PubChem CID 125478600) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene
PubChem CID125478600
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C2=CC2(F)F)c(C)c1
InChIInChI=1S/C11H10F2O/c1-7-5-8(14-2)3-4-9(7)10-6-11(10,12)13/h3-6H,1-2H3
InChIKeyONQJZKYSEMKZQY-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
3-methoxy-5-(4-methoxy-2-methylphenyl)phenol
CID 53220859
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene?
The IUPAC name of 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene (CID 125478600) is 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene is COc1ccc(C2=CC2(F)F)c(C)c1.
What is the InChIKey of 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene?
The InChIKey is ONQJZKYSEMKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-7-5-8(14-2)3-4-9(7)10-6-11(10,12)13/h3-6H,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene?
1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene has a molecular weight of 196.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene is sourced from PubChem (CID 125478600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).