5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane

C19H20F2O — CID 21337873

IUPAC5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(c3ccc(C)c(F)c3F)CO2)cc1
InChIInChI=1S/C19H20F2O/c1-12-3-6-14(7-4-12)17-10-8-15(11-22-17)16-9-5-13(2)18(20)19(16)21/h3-7,9,15,17H,8,10-11H2,1-2H3
InChIKeyCHVNVBAHXNXTRZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP5.22
Rot. Bonds2

About 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane

5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane (PubChem CID 21337873) has the molecular formula C19H20F2O and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane.

Molecular Properties

Compound Name5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane
PubChem CID21337873
Molecular FormulaC19H20F2O
Molecular Weight302.36 g/mol
Exact Mass302.15
IUPAC Name5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(c3ccc(C)c(F)c3F)CO2)cc1
InChIInChI=1S/C19H20F2O/c1-12-3-6-14(7-4-12)17-10-8-15(11-22-17)16-9-5-13(2)18(20)19(16)21/h3-7,9,15,17H,8,10-11H2,1-2H3
InChIKeyCHVNVBAHXNXTRZ-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,3-difluoro-4-methylphenyl)-5-methyloxane
CID 118188483
5-methyl-2-(4-methylphenyl)oxane
CID 23520509
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
5-(2,3-difluoro-4-methylphenyl)-2-[2-(4-methylcyclohexyl)ethyl]oxane
CID 21337869
2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane
CID 58021359
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
5-[5-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]oxan-2-yl]-2-ethylpyrimidine
CID 67968630
5-(2,3-difluoro-4-methylphenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]oxane
CID 135223858
5-(2,3-difluoro-4-iodophenyl)-2-methyloxane
CID 134454496
5-(4-methylphenyl)-2-propyloxane
CID 21247988
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane?
The IUPAC name of 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane (CID 21337873) is 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane.
What is the SMILES notation for 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane?
The canonical SMILES for 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane is Cc1ccc(C2CCC(c3ccc(C)c(F)c3F)CO2)cc1.
What is the InChIKey of 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane?
The InChIKey is CHVNVBAHXNXTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O/c1-12-3-6-14(7-4-12)17-10-8-15(11-22-17)16-9-5-13(2)18(20)19(16)21/h3-7,9,15,17H,8,10-11H2,1-2H3.
What are the key properties of 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane?
5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane has a molecular weight of 302.36 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane is sourced from PubChem (CID 21337873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).