1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol

C25H28O2Si — CID 134997945

IUPAC1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol
SMILESC[Si](C)(C)c1cccc2c1OC[C@@H]2CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2Si/c1-28(2,3)23-16-10-15-22-19(18-27-24(22)23)17-25(26,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-16,19,26H,17-18H2,1-3H3/t19-/m0/s1
InChIKeyGEEILSOCZGCPNH-IBGZPJMESA-N
MW388.58 g/mol
LogP5.03
Rot. Bonds5

About 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol

1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol (PubChem CID 134997945) has the molecular formula C25H28O2Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol.

Molecular Properties

Compound Name1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol
PubChem CID134997945
Molecular FormulaC25H28O2Si
Molecular Weight388.58 g/mol
Exact Mass388.19
IUPAC Name1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol
SMILESC[Si](C)(C)c1cccc2c1OC[C@@H]2CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2Si/c1-28(2,3)23-16-10-15-22-19(18-27-24(22)23)17-25(26,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-16,19,26H,17-18H2,1-3H3/t19-/m0/s1
InChIKeyGEEILSOCZGCPNH-IBGZPJMESA-N
XLogP5.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol?
The IUPAC name of 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol (CID 134997945) is 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol.
What is the SMILES notation for 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol?
The canonical SMILES for 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol is C[Si](C)(C)c1cccc2c1OC[C@@H]2CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol?
The InChIKey is GEEILSOCZGCPNH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28O2Si/c1-28(2,3)23-16-10-15-22-19(18-27-24(22)23)17-25(26,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-16,19,26H,17-18H2,1-3H3/t19-/m0/s1.
What are the key properties of 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol?
1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol has a molecular weight of 388.58 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-2-[(3R)-7-trimethylsilyl-2,3-dihydro-1-benzofuran-3-yl]ethanol is sourced from PubChem (CID 134997945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).