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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Related Compounds

2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
CID 139908520
3-tert-butyl-5-[1-[2-(3-tert-butyl-5-formyl-4-hydroxyphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxy-2-hydroxybenzaldehyde
CID 101472716
(2,6-ditert-butyl-4-methoxyphenyl) 1-naphthalen-1-ylnaphthalene-2-carboxylate
CID 10506037
2,6-ditert-butyl-4-methoxyphenol
CID 10269
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860
4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
CID 132597550
7-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
CID 132851119
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
CID 53486788
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
(2,6-ditert-butyl-4-methoxyphenyl) 1-[di(propan-2-yl)amino]naphthalene-2-carboxylate
CID 15268806
3-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]benzo[f][1,3,2]benzodioxaphosphinin-1-one
CID 88856868

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).