1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene

C18H22O4 — CID 19009371

IUPAC1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene
SMILESCC(Cc1ccc(-c2ccc(CC(C)OO)cc2)cc1)OO
InChIInChI=1S/C18H22O4/c1-13(21-19)11-15-3-7-17(8-4-15)18-9-5-16(6-10-18)12-14(2)22-20/h3-10,13-14,19-20H,11-12H2,1-2H3
InChIKeyGBYYGJLEOVTPJL-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.19
Rot. Bonds7

About 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene

1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene (PubChem CID 19009371) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene
PubChem CID19009371
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene
SMILESCC(Cc1ccc(-c2ccc(CC(C)OO)cc2)cc1)OO
InChIInChI=1S/C18H22O4/c1-13(21-19)11-15-3-7-17(8-4-15)18-9-5-16(6-10-18)12-14(2)22-20/h3-10,13-14,19-20H,11-12H2,1-2H3
InChIKeyGBYYGJLEOVTPJL-UHFFFAOYSA-N
XLogP4.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.19
H-Bond Donors ≤ 52
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

1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
1-(2-hydroperoxypropyl)-3-propylbenzene
CID 88531628
phenyl 1-(4-phenylphenyl)propan-2-yl carbonate
CID 10892928
4-[4-(2-propoxypropyl)phenyl]benzoic acid
CID 15027159
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
4-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]benzoic acid
CID 18927891
1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate
CID 67841946
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene?
The IUPAC name of 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene (CID 19009371) is 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene.
What is the SMILES notation for 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene?
The canonical SMILES for 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene is CC(Cc1ccc(-c2ccc(CC(C)OO)cc2)cc1)OO.
What is the InChIKey of 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene?
The InChIKey is GBYYGJLEOVTPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-13(21-19)11-15-3-7-17(8-4-15)18-9-5-16(6-10-18)12-14(2)22-20/h3-10,13-14,19-20H,11-12H2,1-2H3.
What are the key properties of 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene?
1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene has a molecular weight of 302.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene is sourced from PubChem (CID 19009371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).