hydroxy-(2-methylphenoxy)-oxosilane

C7H8O3Si — CID 21318177

IUPAChydroxy-(2-methylphenoxy)-oxosilane
SMILESCc1ccccc1O[Si](=O)O
InChIInChI=1S/C7H8O3Si/c1-6-4-2-3-5-7(6)10-11(8)9/h2-5,8H,1H3
InChIKeyRRIUFSPCMRVQIW-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.78
Rot. Bonds2

About hydroxy-(2-methylphenoxy)-oxosilane

hydroxy-(2-methylphenoxy)-oxosilane (PubChem CID 21318177) has the molecular formula C7H8O3Si and a molecular weight of 168.22 g/mol. Its IUPAC name is hydroxy-(2-methylphenoxy)-oxosilane.

Molecular Properties

Compound Namehydroxy-(2-methylphenoxy)-oxosilane
PubChem CID21318177
Molecular FormulaC7H8O3Si
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Namehydroxy-(2-methylphenoxy)-oxosilane
SMILESCc1ccccc1O[Si](=O)O
InChIInChI=1S/C7H8O3Si/c1-6-4-2-3-5-7(6)10-11(8)9/h2-5,8H,1H3
InChIKeyRRIUFSPCMRVQIW-UHFFFAOYSA-N
XLogP0.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-buta-1,3-dien-2-yloxy-2-methylbenzene
CID 123651418
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
methyl-(2-methylphenoxy)borinic acid
CID 90155517
(2-methylphenoxy)methanone
CID 20594594
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
formic acid;1,2-xylene
CID 175948526
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
CID 174515144
CID 174515144
1-[(E)-but-2-en-2-yl]oxy-2-methylbenzene
CID 23533291
2-(2-methylphenoxy)propan-2-ol
CID 21192257

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methylphenoxy)-oxosilane?
The IUPAC name of hydroxy-(2-methylphenoxy)-oxosilane (CID 21318177) is hydroxy-(2-methylphenoxy)-oxosilane.
What is the SMILES notation for hydroxy-(2-methylphenoxy)-oxosilane?
The canonical SMILES for hydroxy-(2-methylphenoxy)-oxosilane is Cc1ccccc1O[Si](=O)O.
What is the InChIKey of hydroxy-(2-methylphenoxy)-oxosilane?
The InChIKey is RRIUFSPCMRVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3Si/c1-6-4-2-3-5-7(6)10-11(8)9/h2-5,8H,1H3.
What are the key properties of hydroxy-(2-methylphenoxy)-oxosilane?
hydroxy-(2-methylphenoxy)-oxosilane has a molecular weight of 168.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methylphenoxy)-oxosilane is sourced from PubChem (CID 21318177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).