2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene

C25H26F2O2 — CID 19430958

IUPAC2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
SMILESCCCCCCOc1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F
InChIInChI=1S/C25H26F2O2/c1-2-3-4-8-15-28-24-13-11-20(16-22(24)26)21-12-14-25(23(27)17-21)29-18-19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15,18H2,1H3
InChIKeyIATQGFPCCCXXSQ-UHFFFAOYSA-N
MW396.48 g/mol
LogP7.17
Rot. Bonds10

About 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene

2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene (PubChem CID 19430958) has the molecular formula C25H26F2O2 and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
PubChem CID19430958
Molecular FormulaC25H26F2O2
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
SMILESCCCCCCOc1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F
InChIInChI=1S/C25H26F2O2/c1-2-3-4-8-15-28-24-13-11-20(16-22(24)26)21-12-14-25(23(27)17-21)29-18-19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15,18H2,1H3
InChIKeyIATQGFPCCCXXSQ-UHFFFAOYSA-N
XLogP7.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
CID 57117774
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
4-(3-fluoro-4-heptoxyphenyl)benzoic acid
CID 54109245
4-(3-fluoro-4-hexoxyphenyl)benzoic acid
CID 54340941
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
CID 139095510
2,3-difluoro-1-[4-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-4-octoxybenzene
CID 58140915
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
2-fluoro-4-[2-(3-fluoro-4-heptylphenyl)phenyl]-1-octoxybenzene
CID 161025706

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene?
The IUPAC name of 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene (CID 19430958) is 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene?
The canonical SMILES for 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene is CCCCCCOc1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene?
The InChIKey is IATQGFPCCCXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2O2/c1-2-3-4-8-15-28-24-13-11-20(16-22(24)26)21-12-14-25(23(27)17-21)29-18-19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15,18H2,1H3.
What are the key properties of 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene?
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene has a molecular weight of 396.48 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene is sourced from PubChem (CID 19430958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).