4-(4-decoxyphenyl)-2,3-difluorophenol

C22H28F2O2 — CID 19430954

IUPAC4-(4-decoxyphenyl)-2,3-difluorophenol
SMILESCCCCCCCCCCOc1ccc(-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C22H28F2O2/c1-2-3-4-5-6-7-8-9-16-26-18-12-10-17(11-13-18)19-14-15-20(25)22(24)21(19)23/h10-15,25H,2-9,16H2,1H3
InChIKeyUWPWBTFNWHKLFK-UHFFFAOYSA-N
MW362.46 g/mol
LogP6.86
Rot. Bonds11

About 4-(4-decoxyphenyl)-2,3-difluorophenol

4-(4-decoxyphenyl)-2,3-difluorophenol (PubChem CID 19430954) has the molecular formula C22H28F2O2 and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(4-decoxyphenyl)-2,3-difluorophenol.

Molecular Properties

Compound Name4-(4-decoxyphenyl)-2,3-difluorophenol
PubChem CID19430954
Molecular FormulaC22H28F2O2
Molecular Weight362.46 g/mol
Exact Mass362.21
IUPAC Name4-(4-decoxyphenyl)-2,3-difluorophenol
SMILESCCCCCCCCCCOc1ccc(-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C22H28F2O2/c1-2-3-4-5-6-7-8-9-16-26-18-12-10-17(11-13-18)19-14-15-20(25)22(24)21(19)23/h10-15,25H,2-9,16H2,1H3
InChIKeyUWPWBTFNWHKLFK-UHFFFAOYSA-N
XLogP6.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
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
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
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-octoxyphenyl)-4-pentylbenzene
CID 20665389
7-[4-[2,3-difluoro-4-(4-hexylphenyl)phenyl]phenoxy]heptan-1-ol
CID 91403300
2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene
CID 59928905
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 4-(4-decoxyphenyl)-2,3-difluorophenol?
The IUPAC name of 4-(4-decoxyphenyl)-2,3-difluorophenol (CID 19430954) is 4-(4-decoxyphenyl)-2,3-difluorophenol.
What is the SMILES notation for 4-(4-decoxyphenyl)-2,3-difluorophenol?
The canonical SMILES for 4-(4-decoxyphenyl)-2,3-difluorophenol is CCCCCCCCCCOc1ccc(-c2ccc(O)c(F)c2F)cc1.
What is the InChIKey of 4-(4-decoxyphenyl)-2,3-difluorophenol?
The InChIKey is UWPWBTFNWHKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2O2/c1-2-3-4-5-6-7-8-9-16-26-18-12-10-17(11-13-18)19-14-15-20(25)22(24)21(19)23/h10-15,25H,2-9,16H2,1H3.
What are the key properties of 4-(4-decoxyphenyl)-2,3-difluorophenol?
4-(4-decoxyphenyl)-2,3-difluorophenol has a molecular weight of 362.46 g/mol, XLogP of 6.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-decoxyphenyl)-2,3-difluorophenol is sourced from PubChem (CID 19430954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).