[3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane

C22H26O2Si — CID 101372785

IUPAC[3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane
SMILESC=CCC1OC(c2ccc(OC)cc2)=C([Si](C)(C)C)c2ccccc21
InChIInChI=1S/C22H26O2Si/c1-6-9-20-18-10-7-8-11-19(18)22(25(3,4)5)21(24-20)16-12-14-17(23-2)15-13-16/h6-8,10-15,20H,1,9H2,2-5H3
InChIKeyKBYDVBGZJFFDRF-UHFFFAOYSA-N
MW350.53 g/mol
LogP6.09
Rot. Bonds5

About [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane

[3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane (PubChem CID 101372785) has the molecular formula C22H26O2Si and a molecular weight of 350.53 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane
PubChem CID101372785
Molecular FormulaC22H26O2Si
Molecular Weight350.53 g/mol
Exact Mass350.17
IUPAC Name[3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane
SMILESC=CCC1OC(c2ccc(OC)cc2)=C([Si](C)(C)C)c2ccccc21
InChIInChI=1S/C22H26O2Si/c1-6-9-20-18-10-7-8-11-19(18)22(25(3,4)5)21(24-20)16-12-14-17(23-2)15-13-16/h6-8,10-15,20H,1,9H2,2-5H3
InChIKeyKBYDVBGZJFFDRF-UHFFFAOYSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1,4-bis(prop-2-enyl)-1H-isochromene
CID 86210679
4-chloro-3-phenyl-1-prop-2-enyl-1H-isochromene
CID 101372782
2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 135597460
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene
CID 102573103
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
4-[2-(4-methoxyphenyl)phenyl]piperidine
CID 86226215
2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine
CID 102587488
1-(4-methoxyphenyl)phenazine;hydroiodide
CID 173398535
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8747477
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane?
The IUPAC name of [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane (CID 101372785) is [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane.
What is the SMILES notation for [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane?
The canonical SMILES for [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane is C=CCC1OC(c2ccc(OC)cc2)=C([Si](C)(C)C)c2ccccc21.
What is the InChIKey of [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane?
The InChIKey is KBYDVBGZJFFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2Si/c1-6-9-20-18-10-7-8-11-19(18)22(25(3,4)5)21(24-20)16-12-14-17(23-2)15-13-16/h6-8,10-15,20H,1,9H2,2-5H3.
What are the key properties of [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane?
[3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane has a molecular weight of 350.53 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1-prop-2-enyl-1H-isochromen-4-yl]-trimethylsilane is sourced from PubChem (CID 101372785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).