1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene

C18H20O2 — CID 19352226

IUPAC1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
SMILESC=C(COOc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(2)17-11-7-8-12-18(17)20-19-13-15(3)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3
InChIKeyLXWXURWRTMTOJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.83
Rot. Bonds6

About 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene

1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene (PubChem CID 19352226) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
PubChem CID19352226
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
SMILESC=C(COOc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(2)17-11-7-8-12-18(17)20-19-13-15(3)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3
InChIKeyLXWXURWRTMTOJH-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.83
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

1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
2-phenyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 55017685

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene?
The IUPAC name of 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene (CID 19352226) is 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene is C=C(COOc1ccccc1C(C)C)c1ccccc1.
What is the InChIKey of 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene?
The InChIKey is LXWXURWRTMTOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(2)17-11-7-8-12-18(17)20-19-13-15(3)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene?
1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene has a molecular weight of 268.36 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene is sourced from PubChem (CID 19352226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).