4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde

C16H16O4 — CID 60666587

IUPAC4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccccc1COc1cc(C=O)ccc1OC
InChIInChI=1S/C16H16O4/c1-18-14-6-4-3-5-13(14)11-20-16-9-12(10-17)7-8-15(16)19-2/h3-10H,11H2,1-2H3
InChIKeyKLGPGXJRLYSHIL-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.10
Rot. Bonds6

About 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde

4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 60666587) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
PubChem CID60666587
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccccc1COc1cc(C=O)ccc1OC
InChIInChI=1S/C16H16O4/c1-18-14-6-4-3-5-13(14)11-20-16-9-12(10-17)7-8-15(16)19-2/h3-10H,11H2,1-2H3
InChIKeyKLGPGXJRLYSHIL-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
3-[[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168599325
3-[(5-bromothiophen-2-yl)methoxy]-4-methoxybenzaldehyde
CID 24701994
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde (CID 60666587) is 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde is COc1ccccc1COc1cc(C=O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is KLGPGXJRLYSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-14-6-4-3-5-13(14)11-20-16-9-12(10-17)7-8-15(16)19-2/h3-10H,11H2,1-2H3.
What are the key properties of 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde?
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 272.30 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 60666587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).