1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene

C17H18F2O — CID 81004752

IUPAC1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
SMILESCc1ccc(C(C)C)cc1OCc1cccc(F)c1F
InChIInChI=1S/C17H18F2O/c1-11(2)13-8-7-12(3)16(9-13)20-10-14-5-4-6-15(18)17(14)19/h4-9,11H,10H2,1-3H3
InChIKeyGFVNDESEEHIBOI-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.98
Rot. Bonds4

About 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene

1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene (PubChem CID 81004752) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
PubChem CID81004752
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
SMILESCc1ccc(C(C)C)cc1OCc1cccc(F)c1F
InChIInChI=1S/C17H18F2O/c1-11(2)13-8-7-12(3)16(9-13)20-10-14-5-4-6-15(18)17(14)19/h4-9,11H,10H2,1-3H3
InChIKeyGFVNDESEEHIBOI-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
3-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 64767730
2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005014
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540
2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107879001
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
CID 61034967
1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 60623516
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
The IUPAC name of 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene (CID 81004752) is 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene is Cc1ccc(C(C)C)cc1OCc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
The InChIKey is GFVNDESEEHIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-11(2)13-8-7-12(3)16(9-13)20-10-14-5-4-6-15(18)17(14)19/h4-9,11H,10H2,1-3H3.
What are the key properties of 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene?
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene has a molecular weight of 276.33 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene is sourced from PubChem (CID 81004752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).