4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene

C11H16O4 — CID 166514951

IUPAC4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(CCCOO)cc1OC
InChIInChI=1S/C11H16O4/c1-13-10-6-5-9(4-3-7-15-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyJHWAHNRSFHCSTN-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.13
Rot. Bonds6

About 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene

4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene (PubChem CID 166514951) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
PubChem CID166514951
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(CCCOO)cc1OC
InChIInChI=1S/C11H16O4/c1-13-10-6-5-9(4-3-7-15-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyJHWAHNRSFHCSTN-UHFFFAOYSA-N
XLogP2.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
CID 67718834
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
CID 121004210
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene (CID 166514951) is 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene is COc1ccc(CCCOO)cc1OC.
What is the InChIKey of 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene?
The InChIKey is JHWAHNRSFHCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-13-10-6-5-9(4-3-7-15-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene?
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene has a molecular weight of 212.24 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 166514951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).