1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol

C21H29ClO2Si — CID 42642715

IUPAC1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C21H29ClO2Si/c1-7-19(23)16-10-8-15(9-11-16)17-12-13-20(18(22)14-17)24-25(5,6)21(2,3)4/h8-14,19,23H,7H2,1-6H3
InChIKeyPPLVRRVYKAYLLF-UHFFFAOYSA-N
MW377.00 g/mol
LogP6.83
Rot. Bonds5

About 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol

1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol (PubChem CID 42642715) has the molecular formula C21H29ClO2Si and a molecular weight of 377.00 g/mol. Its IUPAC name is 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol
PubChem CID42642715
Molecular FormulaC21H29ClO2Si
Molecular Weight377.00 g/mol
Exact Mass376.16
IUPAC Name1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C21H29ClO2Si/c1-7-19(23)16-10-8-15(9-11-16)17-12-13-20(18(22)14-17)24-25(5,6)21(2,3)4/h8-14,19,23H,7H2,1-6H3
InChIKeyPPLVRRVYKAYLLF-UHFFFAOYSA-N
XLogP6.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.00
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
CID 42643383
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol
CID 163284430
4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline
CID 141428127
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
(1R,2R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10766574
[2-[tert-butyl(dimethyl)silyl]oxy-5-(2,6-dimethylphenyl)phenyl]methanol
CID 67250414
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
[3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-fluorophenyl]boronic acid
CID 171338487

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol (CID 42642715) is 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol is CCC(O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol?
The InChIKey is PPLVRRVYKAYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClO2Si/c1-7-19(23)16-10-8-15(9-11-16)17-12-13-20(18(22)14-17)24-25(5,6)21(2,3)4/h8-14,19,23H,7H2,1-6H3.
What are the key properties of 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol?
1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol has a molecular weight of 377.00 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol is sourced from PubChem (CID 42642715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).