1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol

C21H38O5Si — CID 67253770

IUPAC1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
SMILESCOc1ccc(COCC(O)CO[Si](C(C)C)(C(C)C)C(C)C)cc1OC
InChIInChI=1S/C21H38O5Si/c1-15(2)27(16(3)4,17(5)6)26-14-19(22)13-25-12-18-9-10-20(23-7)21(11-18)24-8/h9-11,15-17,19,22H,12-14H2,1-8H3
InChIKeyCQKWJWVVNXQTBC-UHFFFAOYSA-N
MW398.62 g/mol
LogP4.77
Rot. Bonds12

About 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol

1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol (PubChem CID 67253770) has the molecular formula C21H38O5Si and a molecular weight of 398.62 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
PubChem CID67253770
Molecular FormulaC21H38O5Si
Molecular Weight398.62 g/mol
Exact Mass398.25
IUPAC Name1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
SMILESCOc1ccc(COCC(O)CO[Si](C(C)C)(C(C)C)C(C)C)cc1OC
InChIInChI=1S/C21H38O5Si/c1-15(2)27(16(3)4,17(5)6)26-14-19(22)13-25-12-18-9-10-20(23-7)21(11-18)24-8/h9-11,15-17,19,22H,12-14H2,1-8H3
InChIKeyCQKWJWVVNXQTBC-UHFFFAOYSA-N
XLogP4.77
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-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

[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethylazanium
CID 2104429
(3,4-dimethoxyphenyl)methoxymethanol
CID 69007274
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-(pyridin-3-ylmethyl)azanium
CID 7998251
(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 7832325
benzyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 7832322
(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7120879
1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 4318167
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-(4-tert-butyltriazol-1-yl)-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 166251416
[(2S)-butan-2-yl]-butyl-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]azanium
CID 7995659

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol (CID 67253770) is 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol is COc1ccc(COCC(O)CO[Si](C(C)C)(C(C)C)C(C)C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
The InChIKey is CQKWJWVVNXQTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O5Si/c1-15(2)27(16(3)4,17(5)6)26-14-19(22)13-25-12-18-9-10-20(23-7)21(11-18)24-8/h9-11,15-17,19,22H,12-14H2,1-8H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol?
1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol has a molecular weight of 398.62 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol is sourced from PubChem (CID 67253770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).