4-(3-hydroperoxyprop-1-enyl)phenol

C9H10O3 — CID 54378687

IUPAC4-(3-hydroperoxyprop-1-enyl)phenol
SMILESOOCC=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3/c10-9-5-3-8(4-6-9)2-1-7-12-11/h1-6,10-11H,7H2
InChIKeyUYJOSJKOEJAHDS-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.89
Rot. Bonds3

About 4-(3-hydroperoxyprop-1-enyl)phenol

4-(3-hydroperoxyprop-1-enyl)phenol (PubChem CID 54378687) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(3-hydroperoxyprop-1-enyl)phenol.

Molecular Properties

Compound Name4-(3-hydroperoxyprop-1-enyl)phenol
PubChem CID54378687
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name4-(3-hydroperoxyprop-1-enyl)phenol
SMILESOOCC=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3/c10-9-5-3-8(4-6-9)2-1-7-12-11/h1-6,10-11H,7H2
InChIKeyUYJOSJKOEJAHDS-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
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

4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
CID 57222494
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[(E)-pent-1-enyl]phenol
CID 15576502
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 175297544
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] hexacosanoate
CID 141473450
(E)-5-(4-hydroxyphenyl)pent-4-enenitrile
CID 131246029
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroperoxyprop-1-enyl)phenol?
The IUPAC name of 4-(3-hydroperoxyprop-1-enyl)phenol (CID 54378687) is 4-(3-hydroperoxyprop-1-enyl)phenol.
What is the SMILES notation for 4-(3-hydroperoxyprop-1-enyl)phenol?
The canonical SMILES for 4-(3-hydroperoxyprop-1-enyl)phenol is OOCC=Cc1ccc(O)cc1.
What is the InChIKey of 4-(3-hydroperoxyprop-1-enyl)phenol?
The InChIKey is UYJOSJKOEJAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-9-5-3-8(4-6-9)2-1-7-12-11/h1-6,10-11H,7H2.
What are the key properties of 4-(3-hydroperoxyprop-1-enyl)phenol?
4-(3-hydroperoxyprop-1-enyl)phenol has a molecular weight of 166.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroperoxyprop-1-enyl)phenol is sourced from PubChem (CID 54378687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).