2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol

C30H42O3Si — CID 132542217

IUPAC2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol
SMILESCOc1cc(-c2c(O[Si](C(C)C)(C(C)C)C(C)C)ccc3ccccc23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H42O3Si/c1-19(2)34(20(3)4,21(5)6)33-27-16-15-22-13-11-12-14-24(22)28(27)25-17-23(32-10)18-26(29(25)31)30(7,8)9/h11-21,31H,1-10H3
InChIKeyWCPUWRKHFUAODY-UHFFFAOYSA-N
MW478.75 g/mol
LogP9.07
Rot. Bonds7

About 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol

2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol (PubChem CID 132542217) has the molecular formula C30H42O3Si and a molecular weight of 478.75 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol
PubChem CID132542217
Molecular FormulaC30H42O3Si
Molecular Weight478.75 g/mol
Exact Mass478.29
IUPAC Name2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol
SMILESCOc1cc(-c2c(O[Si](C(C)C)(C(C)C)C(C)C)ccc3ccccc23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H42O3Si/c1-19(2)34(20(3)4,21(5)6)33-27-16-15-22-13-11-12-14-24(22)28(27)25-17-23(32-10)18-26(29(25)31)30(7,8)9/h11-21,31H,1-10H3
InChIKeyWCPUWRKHFUAODY-UHFFFAOYSA-N
XLogP9.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol?
The IUPAC name of 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol (CID 132542217) is 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol.
What is the SMILES notation for 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol?
The canonical SMILES for 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol is COc1cc(-c2c(O[Si](C(C)C)(C(C)C)C(C)C)ccc3ccccc23)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol?
The InChIKey is WCPUWRKHFUAODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O3Si/c1-19(2)34(20(3)4,21(5)6)33-27-16-15-22-13-11-12-14-24(22)28(27)25-17-23(32-10)18-26(29(25)31)30(7,8)9/h11-21,31H,1-10H3.
What are the key properties of 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol?
2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol has a molecular weight of 478.75 g/mol, XLogP of 9.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol is sourced from PubChem (CID 132542217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).