3-fluoro-4-(9-trimethylsilylnonoxy)phenol

C18H31FO2Si — CID 169298033

IUPAC3-fluoro-4-(9-trimethylsilylnonoxy)phenol
SMILESC[Si](C)(C)CCCCCCCCCOc1ccc(O)cc1F
InChIInChI=1S/C18H31FO2Si/c1-22(2,3)14-10-8-6-4-5-7-9-13-21-18-12-11-16(20)15-17(18)19/h11-12,15,20H,4-10,13-14H2,1-3H3
InChIKeyUBRHCTXHKYJSOQ-UHFFFAOYSA-N
MW326.53 g/mol
LogP5.98
Rot. Bonds11

About 3-fluoro-4-(9-trimethylsilylnonoxy)phenol

3-fluoro-4-(9-trimethylsilylnonoxy)phenol (PubChem CID 169298033) has the molecular formula C18H31FO2Si and a molecular weight of 326.53 g/mol. Its IUPAC name is 3-fluoro-4-(9-trimethylsilylnonoxy)phenol.

Molecular Properties

Compound Name3-fluoro-4-(9-trimethylsilylnonoxy)phenol
PubChem CID169298033
Molecular FormulaC18H31FO2Si
Molecular Weight326.53 g/mol
Exact Mass326.21
IUPAC Name3-fluoro-4-(9-trimethylsilylnonoxy)phenol
SMILESC[Si](C)(C)CCCCCCCCCOc1ccc(O)cc1F
InChIInChI=1S/C18H31FO2Si/c1-22(2,3)14-10-8-6-4-5-7-9-13-21-18-12-11-16(20)15-17(18)19/h11-12,15,20H,4-10,13-14H2,1-3H3
InChIKeyUBRHCTXHKYJSOQ-UHFFFAOYSA-N
XLogP5.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.98
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-(7-trimethylsilylheptoxy)phenol
CID 169298048
4-[2,3-difluoro-4-(3-trimethylsilylpropoxy)phenyl]phenol
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3-fluoro-4-methoxyphenol
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4-nonoxybenzene-1,3-diol
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CID 63404209
3-(hydroxymethyl)-4-nonoxyphenol
CID 14278819
3-fluoro-4-(2-methoxyethoxy)benzoic acid
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CID 88897774
CID 88897774
4-(3-fluoro-4-hexoxyphenyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(9-trimethylsilylnonoxy)phenol?
The IUPAC name of 3-fluoro-4-(9-trimethylsilylnonoxy)phenol (CID 169298033) is 3-fluoro-4-(9-trimethylsilylnonoxy)phenol.
What is the SMILES notation for 3-fluoro-4-(9-trimethylsilylnonoxy)phenol?
The canonical SMILES for 3-fluoro-4-(9-trimethylsilylnonoxy)phenol is C[Si](C)(C)CCCCCCCCCOc1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-(9-trimethylsilylnonoxy)phenol?
The InChIKey is UBRHCTXHKYJSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FO2Si/c1-22(2,3)14-10-8-6-4-5-7-9-13-21-18-12-11-16(20)15-17(18)19/h11-12,15,20H,4-10,13-14H2,1-3H3.
What are the key properties of 3-fluoro-4-(9-trimethylsilylnonoxy)phenol?
3-fluoro-4-(9-trimethylsilylnonoxy)phenol has a molecular weight of 326.53 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(9-trimethylsilylnonoxy)phenol is sourced from PubChem (CID 169298033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).