4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol

C18H22F2O2Si — CID 122393627

IUPAC4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol
SMILESC[Si](C)(C)CCCOc1ccc(-c2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C18H22F2O2Si/c1-23(2,3)12-4-11-22-16-10-9-15(17(19)18(16)20)13-5-7-14(21)8-6-13/h5-10,21H,4,11-12H2,1-3H3
InChIKeyOBTQUJCREBYYDB-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.44
Rot. Bonds6

About 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol

4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol (PubChem CID 122393627) has the molecular formula C18H22F2O2Si and a molecular weight of 336.45 g/mol. Its IUPAC name is 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol.

Molecular Properties

Compound Name4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol
PubChem CID122393627
Molecular FormulaC18H22F2O2Si
Molecular Weight336.45 g/mol
Exact Mass336.14
IUPAC Name4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol
SMILESC[Si](C)(C)CCCOc1ccc(-c2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C18H22F2O2Si/c1-23(2,3)12-4-11-22-16-10-9-15(17(19)18(16)20)13-5-7-14(21)8-6-13/h5-10,21H,4,11-12H2,1-3H3
InChIKeyOBTQUJCREBYYDB-UHFFFAOYSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2,3-difluoro-4-(5,5,6,6,7,7,8,8,8-nonafluorooctoxy)phenyl]phenol
CID 87739962
4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol
CID 143908952
3-fluoro-4-(9-trimethylsilylnonoxy)phenol
CID 169298033
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
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
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 19436415
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
1-(4-butoxyphenyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430437

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol?
The IUPAC name of 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol (CID 122393627) is 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol.
What is the SMILES notation for 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol?
The canonical SMILES for 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol is C[Si](C)(C)CCCOc1ccc(-c2ccc(O)cc2)c(F)c1F.
What is the InChIKey of 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol?
The InChIKey is OBTQUJCREBYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2O2Si/c1-23(2,3)12-4-11-22-16-10-9-15(17(19)18(16)20)13-5-7-14(21)8-6-13/h5-10,21H,4,11-12H2,1-3H3.
What are the key properties of 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol?
4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol has a molecular weight of 336.45 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol is sourced from PubChem (CID 122393627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).