[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane

C21H30O3Sn — CID 166450179

IUPAC[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane
SMILESCOc1cccc(COCC(C)(OC[Sn](C)(C)C)c2ccccc2)c1
InChIInChI=1S/C18H21O3.3CH3.Sn/c1-18(20-3,16-9-5-4-6-10-16)14-21-13-15-8-7-11-17(12-15)19-2;;;;/h4-12H,3,13-14H2,1-2H3;3*1H3;
InChIKeyNVTKGJJKQRQIAZ-UHFFFAOYSA-N
MW449.18 g/mol
LogP5.02
Rot. Bonds9

About [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane

[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane (PubChem CID 166450179) has the molecular formula C21H30O3Sn and a molecular weight of 449.18 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane
PubChem CID166450179
Molecular FormulaC21H30O3Sn
Molecular Weight449.18 g/mol
Exact Mass450.12
IUPAC Name[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane
SMILESCOc1cccc(COCC(C)(OC[Sn](C)(C)C)c2ccccc2)c1
InChIInChI=1S/C18H21O3.3CH3.Sn/c1-18(20-3,16-9-5-4-6-10-16)14-21-13-15-8-7-11-17(12-15)19-2;;;;/h4-12H,3,13-14H2,1-2H3;3*1H3;
InChIKeyNVTKGJJKQRQIAZ-UHFFFAOYSA-N
XLogP5.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.18
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane?
The IUPAC name of [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane (CID 166450179) is [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane.
What is the SMILES notation for [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane?
The canonical SMILES for [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane is COc1cccc(COCC(C)(OC[Sn](C)(C)C)c2ccccc2)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane?
The InChIKey is NVTKGJJKQRQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3.3CH3.Sn/c1-18(20-3,16-9-5-4-6-10-16)14-21-13-15-8-7-11-17(12-15)19-2;;;;/h4-12H,3,13-14H2,1-2H3;3*1H3;.
What are the key properties of [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane?
[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane has a molecular weight of 449.18 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane is sourced from PubChem (CID 166450179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).