4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol

C14H25ClO2Si2 — CID 23541398

IUPAC4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol
SMILESC[Si](C)(C)O[Si](C)(C)CCCc1cc(Cl)ccc1O
InChIInChI=1S/C14H25ClO2Si2/c1-18(2,3)17-19(4,5)10-6-7-12-11-13(15)8-9-14(12)16/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyQOAFZDZFMUCPEJ-UHFFFAOYSA-N
MW316.98 g/mol
LogP5.03
Rot. Bonds6

About 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol

4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol (PubChem CID 23541398) has the molecular formula C14H25ClO2Si2 and a molecular weight of 316.98 g/mol. Its IUPAC name is 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol
PubChem CID23541398
Molecular FormulaC14H25ClO2Si2
Molecular Weight316.98 g/mol
Exact Mass316.11
IUPAC Name4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol
SMILESC[Si](C)(C)O[Si](C)(C)CCCc1cc(Cl)ccc1O
InChIInChI=1S/C14H25ClO2Si2/c1-18(2,3)17-19(4,5)10-6-7-12-11-13(15)8-9-14(12)16/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyQOAFZDZFMUCPEJ-UHFFFAOYSA-N
XLogP5.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.98
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
4-chloro-2-(6-chlorohexyl)phenol
CID 139899855
2-[3-[[[[[[[[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
CID 123229460
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
CID 59163577
2-(bromomethyl)-4-chlorophenol
CID 67740326
4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane
CID 157275960
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
4-[(5-chloro-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol?
The IUPAC name of 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol (CID 23541398) is 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol.
What is the SMILES notation for 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol?
The canonical SMILES for 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol is C[Si](C)(C)O[Si](C)(C)CCCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol?
The InChIKey is QOAFZDZFMUCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO2Si2/c1-18(2,3)17-19(4,5)10-6-7-12-11-13(15)8-9-14(12)16/h8-9,11,16H,6-7,10H2,1-5H3.
What are the key properties of 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol?
4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol has a molecular weight of 316.98 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol is sourced from PubChem (CID 23541398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).