(4-hydroperoxycyclobuten-1-yl)benzene

C10H10O2 — CID 71399609

IUPAC(4-hydroperoxycyclobuten-1-yl)benzene
SMILESOOC1CC=C1c1ccccc1
InChIInChI=1S/C10H10O2/c11-12-10-7-6-9(10)8-4-2-1-3-5-8/h1-6,10-11H,7H2
InChIKeyXGDGTPURLQDDPS-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.33
Rot. Bonds2

About (4-hydroperoxycyclobuten-1-yl)benzene

(4-hydroperoxycyclobuten-1-yl)benzene (PubChem CID 71399609) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4-hydroperoxycyclobuten-1-yl)benzene.

Molecular Properties

Compound Name(4-hydroperoxycyclobuten-1-yl)benzene
PubChem CID71399609
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4-hydroperoxycyclobuten-1-yl)benzene
SMILESOOC1CC=C1c1ccccc1
InChIInChI=1S/C10H10O2/c11-12-10-7-6-9(10)8-4-2-1-3-5-8/h1-6,10-11H,7H2
InChIKeyXGDGTPURLQDDPS-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroperoxycyclobuten-1-yl)benzene?
The IUPAC name of (4-hydroperoxycyclobuten-1-yl)benzene (CID 71399609) is (4-hydroperoxycyclobuten-1-yl)benzene.
What is the SMILES notation for (4-hydroperoxycyclobuten-1-yl)benzene?
The canonical SMILES for (4-hydroperoxycyclobuten-1-yl)benzene is OOC1CC=C1c1ccccc1.
What is the InChIKey of (4-hydroperoxycyclobuten-1-yl)benzene?
The InChIKey is XGDGTPURLQDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-12-10-7-6-9(10)8-4-2-1-3-5-8/h1-6,10-11H,7H2.
What are the key properties of (4-hydroperoxycyclobuten-1-yl)benzene?
(4-hydroperoxycyclobuten-1-yl)benzene has a molecular weight of 162.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroperoxycyclobuten-1-yl)benzene is sourced from PubChem (CID 71399609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).