3-phenylperoxypropylbenzene

C15H16O2 — CID 88815818

IUPAC3-phenylperoxypropylbenzene
SMILESc1ccc(CCCOOc2ccccc2)cc1
InChIInChI=1S/C15H16O2/c1-3-8-14(9-4-1)10-7-13-16-17-15-11-5-2-6-12-15/h1-6,8-9,11-12H,7,10,13H2
InChIKeyPFCMBRRBXDUMMW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.63
Rot. Bonds6

About 3-phenylperoxypropylbenzene

3-phenylperoxypropylbenzene (PubChem CID 88815818) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-phenylperoxypropylbenzene.

Molecular Properties

Compound Name3-phenylperoxypropylbenzene
PubChem CID88815818
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-phenylperoxypropylbenzene
SMILESc1ccc(CCCOOc2ccccc2)cc1
InChIInChI=1S/C15H16O2/c1-3-8-14(9-4-1)10-7-13-16-17-15-11-5-2-6-12-15/h1-6,8-9,11-12H,7,10,13H2
InChIKeyPFCMBRRBXDUMMW-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.63
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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Related Compounds

2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
benzylethoxysilane
CID 66773279
propylperoxybenzene
CID 87444466
4-phenylbutylbenzene
CID 141301927
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
3-benzhydryloxypropylbenzene
CID 11255103
CID 159131095
CID 159131095
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
phenylperoxymethanamine
CID 163956445

Frequently Asked Questions

What is the IUPAC name of 3-phenylperoxypropylbenzene?
The IUPAC name of 3-phenylperoxypropylbenzene (CID 88815818) is 3-phenylperoxypropylbenzene.
What is the SMILES notation for 3-phenylperoxypropylbenzene?
The canonical SMILES for 3-phenylperoxypropylbenzene is c1ccc(CCCOOc2ccccc2)cc1.
What is the InChIKey of 3-phenylperoxypropylbenzene?
The InChIKey is PFCMBRRBXDUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-8-14(9-4-1)10-7-13-16-17-15-11-5-2-6-12-15/h1-6,8-9,11-12H,7,10,13H2.
What are the key properties of 3-phenylperoxypropylbenzene?
3-phenylperoxypropylbenzene has a molecular weight of 228.29 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylperoxypropylbenzene is sourced from PubChem (CID 88815818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).