4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol

C33H38O4Si — CID 140743150

IUPAC4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
SMILESCOc1ccc(C(C)(C)c2ccc(O[Si](C)(C)Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H38O4Si/c1-32(2,24-8-16-28(34)17-9-24)26-12-20-30(21-13-26)36-38(6,7)37-31-22-14-27(15-23-31)33(3,4)25-10-18-29(35-5)19-11-25/h8-23,34H,1-7H3
InChIKeyOXQQCSMWNBGJPA-UHFFFAOYSA-N
MW526.75 g/mol
LogP8.21
Rot. Bonds9

About 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol

4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol (PubChem CID 140743150) has the molecular formula C33H38O4Si and a molecular weight of 526.75 g/mol. Its IUPAC name is 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
PubChem CID140743150
Molecular FormulaC33H38O4Si
Molecular Weight526.75 g/mol
Exact Mass526.25
IUPAC Name4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
SMILESCOc1ccc(C(C)(C)c2ccc(O[Si](C)(C)Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H38O4Si/c1-32(2,24-8-16-28(34)17-9-24)26-12-20-30(21-13-26)36-38(6,7)37-31-22-14-27(15-23-31)33(3,4)25-10-18-29(35-5)19-11-25/h8-23,34H,1-7H3
InChIKeyOXQQCSMWNBGJPA-UHFFFAOYSA-N
XLogP8.21
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.75
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol with MolForge

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Related Compounds

4-[(4-hydroxyphenoxy)-dimethylsilyl]oxyphenol
CID 71038064
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 91273565
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
CID 170514831
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
6-[2-(4-methoxyphenyl)propan-2-yl]pyridin-3-ol
CID 167437084
4-[2-[4-(trimethylsilylmethoxy)phenyl]propan-2-yl]phenol
CID 59326359
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
methane;4-methoxyphenol
CID 159494332
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol (CID 140743150) is 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol is COc1ccc(C(C)(C)c2ccc(O[Si](C)(C)Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol?
The InChIKey is OXQQCSMWNBGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38O4Si/c1-32(2,24-8-16-28(34)17-9-24)26-12-20-30(21-13-26)36-38(6,7)37-31-22-14-27(15-23-31)33(3,4)25-10-18-29(35-5)19-11-25/h8-23,34H,1-7H3.
What are the key properties of 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol?
4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol has a molecular weight of 526.75 g/mol, XLogP of 8.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol is sourced from PubChem (CID 140743150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).