1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane

C24H34F2O — CID 161273010

IUPAC1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
SMILESCCCCCCCC.CCCc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O.C8H18/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18;1-3-5-7-8-6-4-2/h4-11,16H,2-3H2,1H3;3-8H2,1-2H3
InChIKeyVEBOFDGSMWPZPK-UHFFFAOYSA-N
MW376.53 g/mol
LogP8.27
Rot. Bonds10

About 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane

1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane (PubChem CID 161273010) has the molecular formula C24H34F2O and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
PubChem CID161273010
Molecular FormulaC24H34F2O
Molecular Weight376.53 g/mol
Exact Mass376.26
IUPAC Name1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
SMILESCCCCCCCC.CCCc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O.C8H18/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18;1-3-5-7-8-6-4-2/h4-11,16H,2-3H2,1H3;3-8H2,1-2H3
InChIKeyVEBOFDGSMWPZPK-UHFFFAOYSA-N
XLogP8.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 58.27
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-heptylphenyl)benzene
CID 19436442
[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
5-decyl-2-[4-[4-(difluoromethoxy)phenyl]phenyl]pyrimidine
CID 19436440
1-(difluoromethoxy)-4-(3-propylphenyl)benzene
CID 67565840
[4-(difluoromethoxy)phenyl] 4-nonylbenzoate
CID 152641158
1-but-3-enyl-4-[4-(difluoromethoxy)phenyl]benzene
CID 139764185
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-[4-(4-butylphenyl)phenyl]-4-(difluoromethoxy)benzoic acid
CID 67865739

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane?
The IUPAC name of 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane (CID 161273010) is 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane.
What is the SMILES notation for 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane?
The canonical SMILES for 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane is CCCCCCCC.CCCc1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane?
The InChIKey is VEBOFDGSMWPZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O.C8H18/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18;1-3-5-7-8-6-4-2/h4-11,16H,2-3H2,1H3;3-8H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane?
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane has a molecular weight of 376.53 g/mol, XLogP of 8.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane is sourced from PubChem (CID 161273010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).