4-benzylperoxy-3-methoxybenzaldehyde

C15H14O4 — CID 126613899

IUPAC4-benzylperoxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OOCc1ccccc1
InChIInChI=1S/C15H14O4/c1-17-15-9-13(10-16)7-8-14(15)19-18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyIBSVYFHMRCRINN-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.02
Rot. Bonds6

About 4-benzylperoxy-3-methoxybenzaldehyde

4-benzylperoxy-3-methoxybenzaldehyde (PubChem CID 126613899) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-benzylperoxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-benzylperoxy-3-methoxybenzaldehyde
PubChem CID126613899
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-benzylperoxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OOCc1ccccc1
InChIInChI=1S/C15H14O4/c1-17-15-9-13(10-16)7-8-14(15)19-18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyIBSVYFHMRCRINN-UHFFFAOYSA-N
XLogP3.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
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

3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
3-benzylsulfanyl-4-methoxybenzaldehyde
CID 146393669
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 172879583
deuterium monohydride;3-methoxy-4-(2-oxoethoxy)benzaldehyde;phenol
CID 157082328
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192

Frequently Asked Questions

What is the IUPAC name of 4-benzylperoxy-3-methoxybenzaldehyde?
The IUPAC name of 4-benzylperoxy-3-methoxybenzaldehyde (CID 126613899) is 4-benzylperoxy-3-methoxybenzaldehyde.
What is the SMILES notation for 4-benzylperoxy-3-methoxybenzaldehyde?
The canonical SMILES for 4-benzylperoxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OOCc1ccccc1.
What is the InChIKey of 4-benzylperoxy-3-methoxybenzaldehyde?
The InChIKey is IBSVYFHMRCRINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-15-9-13(10-16)7-8-14(15)19-18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 4-benzylperoxy-3-methoxybenzaldehyde?
4-benzylperoxy-3-methoxybenzaldehyde has a molecular weight of 258.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylperoxy-3-methoxybenzaldehyde is sourced from PubChem (CID 126613899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).