1-chloro-4-(propylperoxymethyl)benzene

C10H13ClO2 — CID 139699010

IUPAC1-chloro-4-(propylperoxymethyl)benzene
SMILESCCCOOCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2/c1-2-7-12-13-8-9-3-5-10(11)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyOZPNLDHGARSDPA-UHFFFAOYSA-N
MW200.67 g/mol
LogP3.20
Rot. Bonds5

About 1-chloro-4-(propylperoxymethyl)benzene

1-chloro-4-(propylperoxymethyl)benzene (PubChem CID 139699010) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-chloro-4-(propylperoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(propylperoxymethyl)benzene
PubChem CID139699010
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name1-chloro-4-(propylperoxymethyl)benzene
SMILESCCCOOCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2/c1-2-7-12-13-8-9-3-5-10(11)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyOZPNLDHGARSDPA-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(propylperoxymethyl)benzene?
The IUPAC name of 1-chloro-4-(propylperoxymethyl)benzene (CID 139699010) is 1-chloro-4-(propylperoxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-(propylperoxymethyl)benzene?
The canonical SMILES for 1-chloro-4-(propylperoxymethyl)benzene is CCCOOCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(propylperoxymethyl)benzene?
The InChIKey is OZPNLDHGARSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-2-7-12-13-8-9-3-5-10(11)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-chloro-4-(propylperoxymethyl)benzene?
1-chloro-4-(propylperoxymethyl)benzene has a molecular weight of 200.67 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(propylperoxymethyl)benzene is sourced from PubChem (CID 139699010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).