1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene

C16H20O4 — CID 90836211

IUPAC1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene
SMILESCOc1cccc(C)c1.COc1ccccc1COO
InChIInChI=1S/C8H10O3.C8H10O/c1-10-8-5-3-2-4-7(8)6-11-9;1-7-4-3-5-8(6-7)9-2/h2-5,9H,6H2,1H3;3-6H,1-2H3
InChIKeyZOUWBTWRVVLQRI-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.69
Rot. Bonds4

About 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene

1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene (PubChem CID 90836211) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene.

Molecular Properties

Compound Name1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene
PubChem CID90836211
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene
SMILESCOc1cccc(C)c1.COc1ccccc1COO
InChIInChI=1S/C8H10O3.C8H10O/c1-10-8-5-3-2-4-7(8)6-11-9;1-7-4-3-5-8(6-7)9-2/h2-5,9H,6H2,1H3;3-6H,1-2H3
InChIKeyZOUWBTWRVVLQRI-UHFFFAOYSA-N
XLogP3.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 26901623
1-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone;1-methoxy-3-methylbenzene;2-(2-methoxyphenyl)acetic acid;2-(2-methoxyphenyl)acetyl chloride
CID 159189794
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
CID 82097699
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
dibromozinc;1-methoxy-3-methylbenzene
CID 174778631
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632936
[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(3-methylphenoxy)acetyl]oxyazanium
CID 3587926
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774

Frequently Asked Questions

What is the IUPAC name of 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene?
The IUPAC name of 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene (CID 90836211) is 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene.
What is the SMILES notation for 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene?
The canonical SMILES for 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene is COc1cccc(C)c1.COc1ccccc1COO.
What is the InChIKey of 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene?
The InChIKey is ZOUWBTWRVVLQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C8H10O/c1-10-8-5-3-2-4-7(8)6-11-9;1-7-4-3-5-8(6-7)9-2/h2-5,9H,6H2,1H3;3-6H,1-2H3.
What are the key properties of 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene?
1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene has a molecular weight of 276.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroperoxymethyl)-2-methoxybenzene;1-methoxy-3-methylbenzene is sourced from PubChem (CID 90836211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).