2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol

C78H92O5Si4 — CID 158641197

IUPAC2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol
SMILESCC(Cc1ccccc1O)[Si](C)(C)c1ccccc1.COc1ccc(C(Cc2ccccc2O)[Si](C)(C)c2ccccc2)cc1.C[Si](C)(CCc1ccccc1O)c1ccccc1.C[Si](C)(c1ccccc1)C(Cc1ccccc1O)c1ccccc1
InChIInChI=1S/C23H26O2Si.C22H24OSi.C17H22OSi.C16H20OSi/c1-25-20-15-13-18(14-16-20)23(17-19-9-7-8-12-22(19)24)26(2,3)21-10-5-4-6-11-21;1-24(2,20-14-7-4-8-15-20)22(18-11-5-3-6-12-18)17-19-13-9-10-16-21(19)23;1-14(13-15-9-7-8-12-17(15)18)19(2,3)16-10-5-4-6-11-16;1-18(2,15-9-4-3-5-10-15)13-12-14-8-6-7-11-16(14)17/h4-16,23-24H,17H2,1-3H3;3-16,22-23H,17H2,1-2H3;4-12,14,18H,13H2,1-3H3;3-11,17H,12-13H2,1-2H3
InChIKeyIAKFYZSSXMOZSM-UHFFFAOYSA-N
MW1221.93 g/mol
LogP17.25
Rot. Bonds19

About 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol

2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol (PubChem CID 158641197) has the molecular formula C78H92O5Si4 and a molecular weight of 1221.93 g/mol. Its IUPAC name is 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol.

Molecular Properties

Compound Name2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol
PubChem CID158641197
Molecular FormulaC78H92O5Si4
Molecular Weight1221.93 g/mol
Exact Mass1220.60
IUPAC Name2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol
SMILESCC(Cc1ccccc1O)[Si](C)(C)c1ccccc1.COc1ccc(C(Cc2ccccc2O)[Si](C)(C)c2ccccc2)cc1.C[Si](C)(CCc1ccccc1O)c1ccccc1.C[Si](C)(c1ccccc1)C(Cc1ccccc1O)c1ccccc1
InChIInChI=1S/C23H26O2Si.C22H24OSi.C17H22OSi.C16H20OSi/c1-25-20-15-13-18(14-16-20)23(17-19-9-7-8-12-22(19)24)26(2,3)21-10-5-4-6-11-21;1-24(2,20-14-7-4-8-15-20)22(18-11-5-3-6-12-18)17-19-13-9-10-16-21(19)23;1-14(13-15-9-7-8-12-17(15)18)19(2,3)16-10-5-4-6-11-16;1-18(2,15-9-4-3-5-10-15)13-12-14-8-6-7-11-16(14)17/h4-16,23-24H,17H2,1-3H3;3-16,22-23H,17H2,1-2H3;4-12,14,18H,13H2,1-3H3;3-11,17H,12-13H2,1-2H3
InChIKeyIAKFYZSSXMOZSM-UHFFFAOYSA-N
XLogP17.25
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms87
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.93
LogP ≤ 517.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol?
The IUPAC name of 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol (CID 158641197) is 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol.
What is the SMILES notation for 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol?
The canonical SMILES for 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol is CC(Cc1ccccc1O)[Si](C)(C)c1ccccc1.COc1ccc(C(Cc2ccccc2O)[Si](C)(C)c2ccccc2)cc1.C[Si](C)(CCc1ccccc1O)c1ccccc1.C[Si](C)(c1ccccc1)C(Cc1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol?
The InChIKey is IAKFYZSSXMOZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2Si.C22H24OSi.C17H22OSi.C16H20OSi/c1-25-20-15-13-18(14-16-20)23(17-19-9-7-8-12-22(19)24)26(2,3)21-10-5-4-6-11-21;1-24(2,20-14-7-4-8-15-20)22(18-11-5-3-6-12-18)17-19-13-9-10-16-21(19)23;1-14(13-15-9-7-8-12-17(15)18)19(2,3)16-10-5-4-6-11-16;1-18(2,15-9-4-3-5-10-15)13-12-14-8-6-7-11-16(14)17/h4-16,23-24H,17H2,1-3H3;3-16,22-23H,17H2,1-2H3;4-12,14,18H,13H2,1-3H3;3-11,17H,12-13H2,1-2H3.
What are the key properties of 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol?
2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol has a molecular weight of 1221.93 g/mol, XLogP of 17.25, 19 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol is sourced from PubChem (CID 158641197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).