4-[4-(6-trimethylsilylhexyl)phenyl]phenol

C21H30OSi — CID 19763846

IUPAC4-[4-(6-trimethylsilylhexyl)phenyl]phenol
SMILESC[Si](C)(C)CCCCCCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H30OSi/c1-23(2,3)17-7-5-4-6-8-18-9-11-19(12-10-18)20-13-15-21(22)16-14-20/h9-16,22H,4-8,17H2,1-3H3
InChIKeyCPPRJSFPNIJCSX-UHFFFAOYSA-N
MW326.56 g/mol
LogP6.50
Rot. Bonds8

About 4-[4-(6-trimethylsilylhexyl)phenyl]phenol

4-[4-(6-trimethylsilylhexyl)phenyl]phenol (PubChem CID 19763846) has the molecular formula C21H30OSi and a molecular weight of 326.56 g/mol. Its IUPAC name is 4-[4-(6-trimethylsilylhexyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(6-trimethylsilylhexyl)phenyl]phenol
PubChem CID19763846
Molecular FormulaC21H30OSi
Molecular Weight326.56 g/mol
Exact Mass326.21
IUPAC Name4-[4-(6-trimethylsilylhexyl)phenyl]phenol
SMILESC[Si](C)(C)CCCCCCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H30OSi/c1-23(2,3)17-7-5-4-6-8-18-9-11-19(12-10-18)20-13-15-21(22)16-14-20/h9-16,22H,4-8,17H2,1-3H3
InChIKeyCPPRJSFPNIJCSX-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.56
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-[4-(6-methoxyheptyl)phenyl]phenol
CID 139651988
4-(12-hydroxydodecyl)phenol
CID 139809285
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-trimethylsilylhexyl)phenyl]phenol?
The IUPAC name of 4-[4-(6-trimethylsilylhexyl)phenyl]phenol (CID 19763846) is 4-[4-(6-trimethylsilylhexyl)phenyl]phenol.
What is the SMILES notation for 4-[4-(6-trimethylsilylhexyl)phenyl]phenol?
The canonical SMILES for 4-[4-(6-trimethylsilylhexyl)phenyl]phenol is C[Si](C)(C)CCCCCCc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(6-trimethylsilylhexyl)phenyl]phenol?
The InChIKey is CPPRJSFPNIJCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30OSi/c1-23(2,3)17-7-5-4-6-8-18-9-11-19(12-10-18)20-13-15-21(22)16-14-20/h9-16,22H,4-8,17H2,1-3H3.
What are the key properties of 4-[4-(6-trimethylsilylhexyl)phenyl]phenol?
4-[4-(6-trimethylsilylhexyl)phenyl]phenol has a molecular weight of 326.56 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-trimethylsilylhexyl)phenyl]phenol is sourced from PubChem (CID 19763846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).