2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene

C32H42F2O — CID 54385992

IUPAC2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene
SMILESCCCCCCCCOc1ccc2cc(-c3ccc(CCCCCCCC)c(F)c3F)ccc2c1
InChIInChI=1S/C32H42F2O/c1-3-5-7-9-11-13-15-25-19-21-30(32(34)31(25)33)28-17-16-27-24-29(20-18-26(27)23-28)35-22-14-12-10-8-6-4-2/h16-21,23-24H,3-15,22H2,1-2H3
InChIKeyVDGRSAZGJVXMBR-UHFFFAOYSA-N
MW480.68 g/mol
LogP10.43
Rot. Bonds16

About 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene

2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene (PubChem CID 54385992) has the molecular formula C32H42F2O and a molecular weight of 480.68 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene.

Molecular Properties

Compound Name2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene
PubChem CID54385992
Molecular FormulaC32H42F2O
Molecular Weight480.68 g/mol
Exact Mass480.32
IUPAC Name2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene
SMILESCCCCCCCCOc1ccc2cc(-c3ccc(CCCCCCCC)c(F)c3F)ccc2c1
InChIInChI=1S/C32H42F2O/c1-3-5-7-9-11-13-15-25-19-21-30(32(34)31(25)33)28-17-16-27-24-29(20-18-26(27)23-28)35-22-14-12-10-8-6-4-2/h16-21,23-24H,3-15,22H2,1-2H3
InChIKeyVDGRSAZGJVXMBR-UHFFFAOYSA-N
XLogP10.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.68
LogP ≤ 510.43
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

2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
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-octylphenyl)phenyl]benzene
CID 19108037
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
2,3-difluoro-1-[4-[(3-fluoro-4-propylphenoxy)methyl]phenyl]-4-pentylbenzene
CID 58141396
1-[4-[4-[4-(4-ethylcyclohexyl)butoxy]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 121459298
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
1,3,6,8-tetrakis(6-hexoxynaphthalen-2-yl)pyrene
CID 102054330
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-hexoxyphenyl)naphthalene
CID 139872286

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene?
The IUPAC name of 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene (CID 54385992) is 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene.
What is the SMILES notation for 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene?
The canonical SMILES for 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene is CCCCCCCCOc1ccc2cc(-c3ccc(CCCCCCCC)c(F)c3F)ccc2c1.
What is the InChIKey of 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene?
The InChIKey is VDGRSAZGJVXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F2O/c1-3-5-7-9-11-13-15-25-19-21-30(32(34)31(25)33)28-17-16-27-24-29(20-18-26(27)23-28)35-22-14-12-10-8-6-4-2/h16-21,23-24H,3-15,22H2,1-2H3.
What are the key properties of 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene?
2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene has a molecular weight of 480.68 g/mol, XLogP of 10.43, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene is sourced from PubChem (CID 54385992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).