1-(difluoromethoxy)-4-(4-heptylphenyl)benzene

C20H24F2O — CID 19436442

IUPAC1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H24F2O/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)23-20(21)22/h8-15,20H,2-7H2,1H3
InChIKeyZDJBEURWQOFMPB-UHFFFAOYSA-N
MW318.41 g/mol
LogP6.47
Rot. Bonds9

About 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene

1-(difluoromethoxy)-4-(4-heptylphenyl)benzene (PubChem CID 19436442) has the molecular formula C20H24F2O and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
PubChem CID19436442
Molecular FormulaC20H24F2O
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H24F2O/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)23-20(21)22/h8-15,20H,2-7H2,1H3
InChIKeyZDJBEURWQOFMPB-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
5-decyl-2-[4-[4-(difluoromethoxy)phenyl]phenyl]pyrimidine
CID 19436440
[4-(4-butylphenyl)phenyl] 4-(difluoromethoxy)benzoate;[4-(4-hexylphenyl)phenyl] 4-(difluoromethoxy)benzoate;[4-(4-pentylphenyl)phenyl] 4-(difluoromethoxy)benzoate;[4-(4-propylphenyl)phenyl] 4-(difluoromethoxy)benzoate
CID 157472710
[4-(difluoromethoxy)phenyl] 4-nonylbenzoate
CID 152641158
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
6-(2,6-difluoro-4-heptylphenyl)-2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139873860
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
2-[4-(4-butylphenyl)phenyl]-4-(difluoromethoxy)benzoic acid
CID 67865739
1-[1,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]propan-2-yloxy]-4-(4-pentylphenyl)benzene
CID 134604952
1-but-3-enyl-4-[4-(difluoromethoxy)phenyl]benzene
CID 139764185

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene (CID 19436442) is 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene is CCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene?
The InChIKey is ZDJBEURWQOFMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2O/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)23-20(21)22/h8-15,20H,2-7H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene?
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene has a molecular weight of 318.41 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-(4-heptylphenyl)benzene is sourced from PubChem (CID 19436442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).