1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene

C25H26F2O — CID 162480776

IUPAC1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
SMILESCCCCCOc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2F)cc1
InChIInChI=1S/C25H26F2O/c1-3-5-6-17-28-21-13-11-20(12-14-21)23-16-15-22(24(26)25(23)27)19-9-7-18(4-2)8-10-19/h7-16H,3-6,17H2,1-2H3
InChIKeySZVLCMGFQMQVNB-UHFFFAOYSA-N
MW380.48 g/mol
LogP7.43
Rot. Bonds8

About 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene

1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene (PubChem CID 162480776) has the molecular formula C25H26F2O and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
PubChem CID162480776
Molecular FormulaC25H26F2O
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
SMILESCCCCCOc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2F)cc1
InChIInChI=1S/C25H26F2O/c1-3-5-6-17-28-21-13-11-20(12-14-21)23-16-15-22(24(26)25(23)27)19-9-7-18(4-2)8-10-19/h7-16H,3-6,17H2,1-2H3
InChIKeySZVLCMGFQMQVNB-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 57.43
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-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 88626083
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene
CID 59928905
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
7-[4-[2,3-difluoro-4-(4-hexylphenyl)phenyl]phenoxy]heptan-1-ol
CID 91403300
4-(4-decoxyphenyl)-2,3-difluorophenol
CID 19430954
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
1-(4-decoxyphenyl)-2,3-difluoro-4-[4-[(2R)-2-fluorooctoxy]phenyl]benzene
CID 101044437
2,3-difluoro-4-(4-hexoxyphenyl)benzonitrile
CID 14548499

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene?
The IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene (CID 162480776) is 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene.
What is the SMILES notation for 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene?
The canonical SMILES for 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene is CCCCCOc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene?
The InChIKey is SZVLCMGFQMQVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2O/c1-3-5-6-17-28-21-13-11-20(12-14-21)23-16-15-22(24(26)25(23)27)19-9-7-18(4-2)8-10-19/h7-16H,3-6,17H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene?
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene has a molecular weight of 380.48 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene is sourced from PubChem (CID 162480776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).