3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene

C29H34F2O — CID 19107870

IUPAC3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene
SMILESCCCCCCOc1cc(-c2ccc(-c3ccccc3)cc2)c(F)c(F)c1CCCCC
InChIInChI=1S/C29H34F2O/c1-3-5-7-12-20-32-27-21-26(29(31)28(30)25(27)15-9-6-4-2)24-18-16-23(17-19-24)22-13-10-8-11-14-22/h8,10-11,13-14,16-19,21H,3-7,9,12,15,20H2,1-2H3
InChIKeyARQFAMAPERCTJA-UHFFFAOYSA-N
MW436.59 g/mol
LogP8.99
Rot. Bonds12

About 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene

3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene (PubChem CID 19107870) has the molecular formula C29H34F2O and a molecular weight of 436.59 g/mol. Its IUPAC name is 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene
PubChem CID19107870
Molecular FormulaC29H34F2O
Molecular Weight436.59 g/mol
Exact Mass436.26
IUPAC Name3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene
SMILESCCCCCCOc1cc(-c2ccc(-c3ccccc3)cc2)c(F)c(F)c1CCCCC
InChIInChI=1S/C29H34F2O/c1-3-5-7-12-20-32-27-21-26(29(31)28(30)25(27)15-9-6-4-2)24-18-16-23(17-19-24)22-13-10-8-11-14-22/h8,10-11,13-14,16-19,21H,3-7,9,12,15,20H2,1-2H3
InChIKeyARQFAMAPERCTJA-UHFFFAOYSA-N
XLogP8.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.59
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-1-octyl-5-(4-phenylphenyl)-2-propylbenzene
CID 19107988
3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol
CID 130301437
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637
1-[4-(4-dodecylphenyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 54557700
1-decoxy-2,3-difluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 54447288
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
1-octadecoxy-2-phenylbenzene
CID 70983974
2,3,7,10-tetrahexoxy-6,11-diphenyltriphenylene
CID 132990475
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-pentoxybenzene
CID 121369867
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene?
The IUPAC name of 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene (CID 19107870) is 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene.
What is the SMILES notation for 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene?
The canonical SMILES for 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene is CCCCCCOc1cc(-c2ccc(-c3ccccc3)cc2)c(F)c(F)c1CCCCC.
What is the InChIKey of 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene?
The InChIKey is ARQFAMAPERCTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2O/c1-3-5-7-12-20-32-27-21-26(29(31)28(30)25(27)15-9-6-4-2)24-18-16-23(17-19-24)22-13-10-8-11-14-22/h8,10-11,13-14,16-19,21H,3-7,9,12,15,20H2,1-2H3.
What are the key properties of 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene?
3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene has a molecular weight of 436.59 g/mol, XLogP of 8.99, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-hexoxy-2-pentyl-5-(4-phenylphenyl)benzene is sourced from PubChem (CID 19107870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).