1-phenylperoxy-2,3-dipropylbenzene

C18H22O2 — CID 56612441

IUPAC1-phenylperoxy-2,3-dipropylbenzene
SMILESCCCc1cccc(OOc2ccccc2)c1CCC
InChIInChI=1S/C18H22O2/c1-3-9-15-11-8-14-18(17(15)10-4-2)20-19-16-12-6-5-7-13-16/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyQXEMVWYJNKMDDN-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.96
Rot. Bonds7

About 1-phenylperoxy-2,3-dipropylbenzene

1-phenylperoxy-2,3-dipropylbenzene (PubChem CID 56612441) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-phenylperoxy-2,3-dipropylbenzene.

Molecular Properties

Compound Name1-phenylperoxy-2,3-dipropylbenzene
PubChem CID56612441
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-phenylperoxy-2,3-dipropylbenzene
SMILESCCCc1cccc(OOc2ccccc2)c1CCC
InChIInChI=1S/C18H22O2/c1-3-9-15-11-8-14-18(17(15)10-4-2)20-19-16-12-6-5-7-13-16/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyQXEMVWYJNKMDDN-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
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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Related Compounds

2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
1,2-diphenoxy-3-propylbenzene
CID 18381159
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
1-benzyl-2,3-dipropylbenzene
CID 22920914
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
CID 87674082
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
CID 67502677
CID 175191722
CID 175191722
methanamine;1-propylnaphthalene
CID 174438724

Frequently Asked Questions

What is the IUPAC name of 1-phenylperoxy-2,3-dipropylbenzene?
The IUPAC name of 1-phenylperoxy-2,3-dipropylbenzene (CID 56612441) is 1-phenylperoxy-2,3-dipropylbenzene.
What is the SMILES notation for 1-phenylperoxy-2,3-dipropylbenzene?
The canonical SMILES for 1-phenylperoxy-2,3-dipropylbenzene is CCCc1cccc(OOc2ccccc2)c1CCC.
What is the InChIKey of 1-phenylperoxy-2,3-dipropylbenzene?
The InChIKey is QXEMVWYJNKMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-9-15-11-8-14-18(17(15)10-4-2)20-19-16-12-6-5-7-13-16/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 1-phenylperoxy-2,3-dipropylbenzene?
1-phenylperoxy-2,3-dipropylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylperoxy-2,3-dipropylbenzene is sourced from PubChem (CID 56612441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).