2-prop-2-enoxybenzenecarboperoxoic acid

C10H10O4 — CID 88627610

IUPAC2-prop-2-enoxybenzenecarboperoxoic acid
SMILESC=CCOc1ccccc1C(=O)OO
InChIInChI=1S/C10H10O4/c1-2-7-13-9-6-4-3-5-8(9)10(11)14-12/h2-6,12H,1,7H2
InChIKeyPIWXARKEMVPVNM-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.88
Rot. Bonds4

About 2-prop-2-enoxybenzenecarboperoxoic acid

2-prop-2-enoxybenzenecarboperoxoic acid (PubChem CID 88627610) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-prop-2-enoxybenzenecarboperoxoic acid.

Molecular Properties

Compound Name2-prop-2-enoxybenzenecarboperoxoic acid
PubChem CID88627610
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-prop-2-enoxybenzenecarboperoxoic acid
SMILESC=CCOc1ccccc1C(=O)OO
InChIInChI=1S/C10H10O4/c1-2-7-13-9-6-4-3-5-8(9)10(11)14-12/h2-6,12H,1,7H2
InChIKeyPIWXARKEMVPVNM-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
2-ethoxybenzenecarboperoxoic acid
CID 22314606
[4-(2-methylprop-2-enoyloxy)phenyl] 2-prop-2-enoxybenzoate
CID 18368742
N-methoxy-N-methyl-2-prop-2-enoxybenzamide
CID 60735297
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
CID 67861260
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxybenzenecarboperoxoic acid?
The IUPAC name of 2-prop-2-enoxybenzenecarboperoxoic acid (CID 88627610) is 2-prop-2-enoxybenzenecarboperoxoic acid.
What is the SMILES notation for 2-prop-2-enoxybenzenecarboperoxoic acid?
The canonical SMILES for 2-prop-2-enoxybenzenecarboperoxoic acid is C=CCOc1ccccc1C(=O)OO.
What is the InChIKey of 2-prop-2-enoxybenzenecarboperoxoic acid?
The InChIKey is PIWXARKEMVPVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-2-7-13-9-6-4-3-5-8(9)10(11)14-12/h2-6,12H,1,7H2.
What are the key properties of 2-prop-2-enoxybenzenecarboperoxoic acid?
2-prop-2-enoxybenzenecarboperoxoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxybenzenecarboperoxoic acid is sourced from PubChem (CID 88627610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).