1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene

C24H24F2O — CID 18984075

IUPAC1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene
SMILESCCCc1ccc(-c2ccc(CCc3ccc(OC(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H24F2O/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)27-24(25)26/h6-17,24H,2-5H2,1H3
InChIKeyMCYICXTZMPDKCY-UHFFFAOYSA-N
MW366.45 g/mol
LogP6.69
Rot. Bonds8

About 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene

1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene (PubChem CID 18984075) has the molecular formula C24H24F2O and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene
PubChem CID18984075
Molecular FormulaC24H24F2O
Molecular Weight366.45 g/mol
Exact Mass366.18
IUPAC Name1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene
SMILESCCCc1ccc(-c2ccc(CCc3ccc(OC(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H24F2O/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)27-24(25)26/h6-17,24H,2-5H2,1H3
InChIKeyMCYICXTZMPDKCY-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene (CID 18984075) is 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene is CCCc1ccc(-c2ccc(CCc3ccc(OC(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene?
The InChIKey is MCYICXTZMPDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)27-24(25)26/h6-17,24H,2-5H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene?
1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene has a molecular weight of 366.45 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethyl]benzene is sourced from PubChem (CID 18984075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).