[hydroperoxy(2-methoxyethoxy)methyl]benzene

C10H14O4 — CID 10512152

IUPAC[hydroperoxy(2-methoxyethoxy)methyl]benzene
SMILESCOCCOC(OO)c1ccccc1
InChIInChI=1S/C10H14O4/c1-12-7-8-13-10(14-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyINNHDYAZLNFYQC-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.84
Rot. Bonds6

About [hydroperoxy(2-methoxyethoxy)methyl]benzene

[hydroperoxy(2-methoxyethoxy)methyl]benzene (PubChem CID 10512152) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [hydroperoxy(2-methoxyethoxy)methyl]benzene.

Molecular Properties

Compound Name[hydroperoxy(2-methoxyethoxy)methyl]benzene
PubChem CID10512152
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[hydroperoxy(2-methoxyethoxy)methyl]benzene
SMILESCOCCOC(OO)c1ccccc1
InChIInChI=1S/C10H14O4/c1-12-7-8-13-10(14-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyINNHDYAZLNFYQC-UHFFFAOYSA-N
XLogP1.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
[disulfanyl(2-methoxyethoxy)methyl]benzene
CID 169266933
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
benzene;2-methoxy-1-phenylethanol
CID 174622919
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
[hydroperoxy(2-methylbut-3-en-2-yloxy)methyl]benzene
CID 10727068
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890

Frequently Asked Questions

What is the IUPAC name of [hydroperoxy(2-methoxyethoxy)methyl]benzene?
The IUPAC name of [hydroperoxy(2-methoxyethoxy)methyl]benzene (CID 10512152) is [hydroperoxy(2-methoxyethoxy)methyl]benzene.
What is the SMILES notation for [hydroperoxy(2-methoxyethoxy)methyl]benzene?
The canonical SMILES for [hydroperoxy(2-methoxyethoxy)methyl]benzene is COCCOC(OO)c1ccccc1.
What is the InChIKey of [hydroperoxy(2-methoxyethoxy)methyl]benzene?
The InChIKey is INNHDYAZLNFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-12-7-8-13-10(14-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of [hydroperoxy(2-methoxyethoxy)methyl]benzene?
[hydroperoxy(2-methoxyethoxy)methyl]benzene has a molecular weight of 198.22 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroperoxy(2-methoxyethoxy)methyl]benzene is sourced from PubChem (CID 10512152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).