3-methoxy-4-phenylmethoxybenzaldehyde

C30H28O6 — CID 161042191

IUPAC3-methoxy-4-phenylmethoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccccc1.COc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/2C15H14O3/c2*1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2*2-10H,11H2,1H3
InChIKeyUBAIJMVYBNVBFR-UHFFFAOYSA-N
MW484.55 g/mol
LogP6.17
Rot. Bonds10

About 3-methoxy-4-phenylmethoxybenzaldehyde

3-methoxy-4-phenylmethoxybenzaldehyde (PubChem CID 161042191) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 3-methoxy-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-phenylmethoxybenzaldehyde
PubChem CID161042191
Molecular FormulaC30H28O6
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC Name3-methoxy-4-phenylmethoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccccc1.COc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/2C15H14O3/c2*1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2*2-10H,11H2,1H3
InChIKeyUBAIJMVYBNVBFR-UHFFFAOYSA-N
XLogP6.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-benzylperoxy-3-methoxybenzaldehyde
CID 126613899
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
CID 55631819
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylmethoxybenzaldehyde?
The IUPAC name of 3-methoxy-4-phenylmethoxybenzaldehyde (CID 161042191) is 3-methoxy-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-methoxy-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-methoxy-4-phenylmethoxybenzaldehyde is COc1cc(C=O)ccc1OCc1ccccc1.COc1cc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylmethoxybenzaldehyde?
The InChIKey is UBAIJMVYBNVBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14O3/c2*1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2*2-10H,11H2,1H3.
What are the key properties of 3-methoxy-4-phenylmethoxybenzaldehyde?
3-methoxy-4-phenylmethoxybenzaldehyde has a molecular weight of 484.55 g/mol, XLogP of 6.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 161042191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).