4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol

C21H22O2Si — CID 70171696

IUPAC4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol
SMILESC=C(O[Si](C)(C)C)c1cc(-c2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C21H22O2Si/c1-15(23-24(2,3)4)20-14-19(11-12-21(20)22)18-10-9-16-7-5-6-8-17(16)13-18/h5-14,22H,1H2,2-4H3
InChIKeyXIFXHQRDNHGMKU-UHFFFAOYSA-N
MW334.49 g/mol
LogP6.03
Rot. Bonds4

About 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol

4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol (PubChem CID 70171696) has the molecular formula C21H22O2Si and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol
PubChem CID70171696
Molecular FormulaC21H22O2Si
Molecular Weight334.49 g/mol
Exact Mass334.14
IUPAC Name4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol
SMILESC=C(O[Si](C)(C)C)c1cc(-c2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C21H22O2Si/c1-15(23-24(2,3)4)20-14-19(11-12-21(20)22)18-10-9-16-7-5-6-8-17(16)13-18/h5-14,22H,1H2,2-4H3
InChIKeyXIFXHQRDNHGMKU-UHFFFAOYSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol?
The IUPAC name of 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol (CID 70171696) is 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol.
What is the SMILES notation for 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol?
The canonical SMILES for 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol is C=C(O[Si](C)(C)C)c1cc(-c2ccc3ccccc3c2)ccc1O.
What is the InChIKey of 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol?
The InChIKey is XIFXHQRDNHGMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2Si/c1-15(23-24(2,3)4)20-14-19(11-12-21(20)22)18-10-9-16-7-5-6-8-17(16)13-18/h5-14,22H,1H2,2-4H3.
What are the key properties of 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol?
4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol has a molecular weight of 334.49 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol is sourced from PubChem (CID 70171696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).