1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene

C12H18O3 — CID 11481238

IUPAC1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
SMILESCCCOc1ccc(C(C)(C)OO)cc1
InChIInChI=1S/C12H18O3/c1-4-9-14-11-7-5-10(6-8-11)12(2,3)15-13/h5-8,13H,4,9H2,1-3H3
InChIKeyUZXNKTAIQFYUQE-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.20
Rot. Bonds5

About 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene

1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene (PubChem CID 11481238) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene.

Molecular Properties

Compound Name1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
PubChem CID11481238
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
SMILESCCCOc1ccc(C(C)(C)OO)cc1
InChIInChI=1S/C12H18O3/c1-4-9-14-11-7-5-10(6-8-11)12(2,3)15-13/h5-8,13H,4,9H2,1-3H3
InChIKeyUZXNKTAIQFYUQE-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
1-tert-butyl-4-(3-deuteriopropoxy)benzene
CID 177106772
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4-propoxyphenyl)heptan-2-ol
CID 156764535
N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine
CID 95444836
tert-butyl N-[1-hydroxy-1-(4-propoxyphenyl)ethyl]carbamate
CID 174717157
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
2-(4-propoxyphenyl)hex-5-en-2-ol
CID 104656350

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene?
The IUPAC name of 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene (CID 11481238) is 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene.
What is the SMILES notation for 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene?
The canonical SMILES for 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene is CCCOc1ccc(C(C)(C)OO)cc1.
What is the InChIKey of 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene?
The InChIKey is UZXNKTAIQFYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-9-14-11-7-5-10(6-8-11)12(2,3)15-13/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene?
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene has a molecular weight of 210.27 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene is sourced from PubChem (CID 11481238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).