[2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane

C21H26OSi — CID 101458680

IUPAC[2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane
SMILESCOc1ccc(CC2=C(C[Si](C)(C)C)c3ccccc3C2)cc1
InChIInChI=1S/C21H26OSi/c1-22-19-11-9-16(10-12-19)13-18-14-17-7-5-6-8-20(17)21(18)15-23(2,3)4/h5-12H,13-15H2,1-4H3
InChIKeyPPTNLBAPQUQTQP-UHFFFAOYSA-N
MW322.52 g/mol
LogP5.59
Rot. Bonds5

About [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane

[2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane (PubChem CID 101458680) has the molecular formula C21H26OSi and a molecular weight of 322.52 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane
PubChem CID101458680
Molecular FormulaC21H26OSi
Molecular Weight322.52 g/mol
Exact Mass322.18
IUPAC Name[2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane
SMILESCOc1ccc(CC2=C(C[Si](C)(C)C)c3ccccc3C2)cc1
InChIInChI=1S/C21H26OSi/c1-22-19-11-9-16(10-12-19)13-18-14-17-7-5-6-8-20(17)21(18)15-23(2,3)4/h5-12H,13-15H2,1-4H3
InChIKeyPPTNLBAPQUQTQP-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[2-[(4-methylphenyl)methyl]-3H-inden-1-yl]methyl]silane
CID 101458679
(4-methoxyphenyl)(113C)methyl-trimethylsilane
CID 101034579
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
2-bromo-3-(4-methoxyphenyl)-1H-indene
CID 157190744
3-fluoro-2-(4-methoxyphenyl)-1H-indene
CID 102296700
ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
CID 158173229
5-[(4-methoxyphenyl)methyl]-4,5,7-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaene
CID 59490743
[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[(4-methoxyphenyl)methyl]-3,4-dihydronaphthalen-1-yl]methanone
CID 152692188
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 23300067
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane (CID 101458680) is [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane is COc1ccc(CC2=C(C[Si](C)(C)C)c3ccccc3C2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane?
The InChIKey is PPTNLBAPQUQTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26OSi/c1-22-19-11-9-16(10-12-19)13-18-14-17-7-5-6-8-20(17)21(18)15-23(2,3)4/h5-12H,13-15H2,1-4H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane?
[2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane has a molecular weight of 322.52 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]-3H-inden-1-yl]methyl-trimethylsilane is sourced from PubChem (CID 101458680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).