2-phenylmethoxy-1-tributylstannylethanol

C21H38O2Sn — CID 10551127

IUPAC2-phenylmethoxy-1-tributylstannylethanol
SMILESCCCC[Sn](CCCC)(CCCC)C(O)COCc1ccccc1
InChIInChI=1S/C9H11O2.3C4H9.Sn/c10-6-7-11-8-9-4-2-1-3-5-9;3*1-3-4-2;/h1-6,10H,7-8H2;3*1,3-4H2,2H3;
InChIKeyDFOBLTHHBHVAFJ-UHFFFAOYSA-N
MW441.24 g/mol
LogP5.95
Rot. Bonds14

About 2-phenylmethoxy-1-tributylstannylethanol

2-phenylmethoxy-1-tributylstannylethanol (PubChem CID 10551127) has the molecular formula C21H38O2Sn and a molecular weight of 441.24 g/mol. Its IUPAC name is 2-phenylmethoxy-1-tributylstannylethanol.

Molecular Properties

Compound Name2-phenylmethoxy-1-tributylstannylethanol
PubChem CID10551127
Molecular FormulaC21H38O2Sn
Molecular Weight441.24 g/mol
Exact Mass442.19
IUPAC Name2-phenylmethoxy-1-tributylstannylethanol
SMILESCCCC[Sn](CCCC)(CCCC)C(O)COCc1ccccc1
InChIInChI=1S/C9H11O2.3C4H9.Sn/c10-6-7-11-8-9-4-2-1-3-5-9;3*1-3-4-2;/h1-6,10H,7-8H2;3*1,3-4H2,2H3;
InChIKeyDFOBLTHHBHVAFJ-UHFFFAOYSA-N
XLogP5.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenylmethoxy-1-tributylstannylethanol 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

3-(phenylmethoxymethyl)heptan-4-ol
CID 11333834
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane
CID 14322207
butyl-tris(phenylmethoxy)stannane
CID 16688200
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
butoxymethylbenzene;ethane
CID 145341806
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115898094

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-tributylstannylethanol?
The IUPAC name of 2-phenylmethoxy-1-tributylstannylethanol (CID 10551127) is 2-phenylmethoxy-1-tributylstannylethanol.
What is the SMILES notation for 2-phenylmethoxy-1-tributylstannylethanol?
The canonical SMILES for 2-phenylmethoxy-1-tributylstannylethanol is CCCC[Sn](CCCC)(CCCC)C(O)COCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-1-tributylstannylethanol?
The InChIKey is DFOBLTHHBHVAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.3C4H9.Sn/c10-6-7-11-8-9-4-2-1-3-5-9;3*1-3-4-2;/h1-6,10H,7-8H2;3*1,3-4H2,2H3;.
What are the key properties of 2-phenylmethoxy-1-tributylstannylethanol?
2-phenylmethoxy-1-tributylstannylethanol has a molecular weight of 441.24 g/mol, XLogP of 5.95, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-tributylstannylethanol is sourced from PubChem (CID 10551127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).