1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene

C17H18F2O — CID 177076482

IUPAC1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
SMILESCc1cc(F)c(F)cc1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H18F2O/c1-10(2)14-6-5-13(7-11(14)3)20-17-9-16(19)15(18)8-12(17)4/h5-10H,1-4H3
InChIKeyYMQYFAMIXLRPNR-UHFFFAOYSA-N
MW276.33 g/mol
LogP5.50
Rot. Bonds3

About 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene

1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene (PubChem CID 177076482) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
PubChem CID177076482
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
SMILESCc1cc(F)c(F)cc1Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H18F2O/c1-10(2)14-6-5-13(7-11(14)3)20-17-9-16(19)15(18)8-12(17)4/h5-10H,1-4H3
InChIKeyYMQYFAMIXLRPNR-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.33
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 66102111
3-fluoro-4-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 43657439
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63815601
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 43349562
1-[3-bromo-4-(bromomethyl)phenoxy]-4,5-difluoro-2-methylbenzene
CID 114276748
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 29047649
2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
CID 176946353
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene?
The IUPAC name of 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene (CID 177076482) is 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene is Cc1cc(F)c(F)cc1Oc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene?
The InChIKey is YMQYFAMIXLRPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-10(2)14-6-5-13(7-11(14)3)20-17-9-16(19)15(18)8-12(17)4/h5-10H,1-4H3.
What are the key properties of 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene?
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene has a molecular weight of 276.33 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 177076482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).