2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene

C22H20F2O — CID 145339830

IUPAC2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F
InChIInChI=1S/C22H20F2O/c1-3-14-25-20-13-12-19(21(23)22(20)24)18-10-8-17(9-11-18)16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3
InChIKeyKVOOUIAVOGBPCP-UHFFFAOYSA-N
MW338.40 g/mol
LogP6.40
Rot. Bonds5

About 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene

2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene (PubChem CID 145339830) has the molecular formula C22H20F2O and a molecular weight of 338.40 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
PubChem CID145339830
Molecular FormulaC22H20F2O
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F
InChIInChI=1S/C22H20F2O/c1-3-14-25-20-13-12-19(21(23)22(20)24)18-10-8-17(9-11-18)16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3
InChIKeyKVOOUIAVOGBPCP-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.40
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde
CID 143775739
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637
1-decoxy-2,3-difluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 54447288
1-[4-(4-dodecylphenyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 54557700
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene?
The IUPAC name of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene (CID 145339830) is 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene?
The canonical SMILES for 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene is CCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene?
The InChIKey is KVOOUIAVOGBPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2O/c1-3-14-25-20-13-12-19(21(23)22(20)24)18-10-8-17(9-11-18)16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene?
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene has a molecular weight of 338.40 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene is sourced from PubChem (CID 145339830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).