[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane

C24H26OSi — CID 12030131

IUPAC[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane
SMILESCOc1ccc([C@@H]2C[C@@H]2C[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26OSi/c1-25-21-15-13-19(14-16-21)24-17-20(24)18-26(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20,24H,17-18H2,1-2H3/t20-,24+/m1/s1
InChIKeyQPUAAKWKCAYBTB-YKSBVNFPSA-N
MW358.56 g/mol
LogP4.69
Rot. Bonds6

About [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane

[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane (PubChem CID 12030131) has the molecular formula C24H26OSi and a molecular weight of 358.56 g/mol. Its IUPAC name is [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane.

Molecular Properties

Compound Name[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane
PubChem CID12030131
Molecular FormulaC24H26OSi
Molecular Weight358.56 g/mol
Exact Mass358.18
IUPAC Name[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane
SMILESCOc1ccc([C@@H]2C[C@@H]2C[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26OSi/c1-25-21-15-13-19(14-16-21)24-17-20(24)18-26(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20,24H,17-18H2,1-2H3/t20-,24+/m1/s1
InChIKeyQPUAAKWKCAYBTB-YKSBVNFPSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.56
LogP ≤ 54.69
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

[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane
CID 12030132
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane
CID 101060034
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
1-[(1S,8S,9R,11S)-11-(4-methoxyphenyl)-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]-N-methylmethanamine
CID 177417495
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 40542857
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
N-[[2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 3787911
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 138034046

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane?
The IUPAC name of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane (CID 12030131) is [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane.
What is the SMILES notation for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane?
The canonical SMILES for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane is COc1ccc([C@@H]2C[C@@H]2C[Si](C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane?
The InChIKey is QPUAAKWKCAYBTB-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H26OSi/c1-25-21-15-13-19(14-16-21)24-17-20(24)18-26(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20,24H,17-18H2,1-2H3/t20-,24+/m1/s1.
What are the key properties of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane?
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane has a molecular weight of 358.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methyl-methyl-diphenylsilane is sourced from PubChem (CID 12030131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).