hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane

C19H18O3Si — CID 162717968

IUPAChydroxy-(2-methylphenoxy)-phenoxy-phenylsilane
SMILESCc1ccccc1O[Si](O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O3Si/c1-16-10-8-9-15-19(16)22-23(20,18-13-6-3-7-14-18)21-17-11-4-2-5-12-17/h2-15,20H,1H3
InChIKeyWXPNVWCBEUCXDX-UHFFFAOYSA-N
MW322.44 g/mol
LogP3.29
Rot. Bonds5

About hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane

hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane (PubChem CID 162717968) has the molecular formula C19H18O3Si and a molecular weight of 322.44 g/mol. Its IUPAC name is hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane.

Molecular Properties

Compound Namehydroxy-(2-methylphenoxy)-phenoxy-phenylsilane
PubChem CID162717968
Molecular FormulaC19H18O3Si
Molecular Weight322.44 g/mol
Exact Mass322.10
IUPAC Namehydroxy-(2-methylphenoxy)-phenoxy-phenylsilane
SMILESCc1ccccc1O[Si](O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O3Si/c1-16-10-8-9-15-19(16)22-23(20,18-13-6-3-7-14-18)21-17-11-4-2-5-12-17/h2-15,20H,1H3
InChIKeyWXPNVWCBEUCXDX-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.29
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 hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane?
The IUPAC name of hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane (CID 162717968) is hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane.
What is the SMILES notation for hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane?
The canonical SMILES for hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane is Cc1ccccc1O[Si](O)(Oc1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane?
The InChIKey is WXPNVWCBEUCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3Si/c1-16-10-8-9-15-19(16)22-23(20,18-13-6-3-7-14-18)21-17-11-4-2-5-12-17/h2-15,20H,1H3.
What are the key properties of hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane?
hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane has a molecular weight of 322.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane is sourced from PubChem (CID 162717968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).