4-hydroxy-3-methylperoxybenzaldehyde

C8H8O4 — CID 131965744

IUPAC4-hydroxy-3-methylperoxybenzaldehyde
SMILESCOOc1cc(C=O)ccc1O
InChIInChI=1S/C8H8O4/c1-11-12-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKeyNDXKUCOTWYIEIQ-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.14
Rot. Bonds3

About 4-hydroxy-3-methylperoxybenzaldehyde

4-hydroxy-3-methylperoxybenzaldehyde (PubChem CID 131965744) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-hydroxy-3-methylperoxybenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methylperoxybenzaldehyde
PubChem CID131965744
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name4-hydroxy-3-methylperoxybenzaldehyde
SMILESCOOc1cc(C=O)ccc1O
InChIInChI=1S/C8H8O4/c1-11-12-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKeyNDXKUCOTWYIEIQ-UHFFFAOYSA-N
XLogP1.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 130345281
CID 130345281
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
(5-formyl-2-methylperoxyphenyl) formate
CID 87488557
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane
CID 175505824

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylperoxybenzaldehyde?
The IUPAC name of 4-hydroxy-3-methylperoxybenzaldehyde (CID 131965744) is 4-hydroxy-3-methylperoxybenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-methylperoxybenzaldehyde?
The canonical SMILES for 4-hydroxy-3-methylperoxybenzaldehyde is COOc1cc(C=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-methylperoxybenzaldehyde?
The InChIKey is NDXKUCOTWYIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-11-12-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3.
What are the key properties of 4-hydroxy-3-methylperoxybenzaldehyde?
4-hydroxy-3-methylperoxybenzaldehyde has a molecular weight of 168.15 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylperoxybenzaldehyde is sourced from PubChem (CID 131965744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).