3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde

C16H16O3 — CID 172651683

IUPAC3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
SMILESCOCc1cc(OC)ccc1-c1cccc(C=O)c1
InChIInChI=1S/C16H16O3/c1-18-11-14-9-15(19-2)6-7-16(14)13-5-3-4-12(8-13)10-17/h3-10H,11H2,1-2H3
InChIKeyZAOYQXQHSCFFPI-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.32
Rot. Bonds5

About 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde

3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde (PubChem CID 172651683) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
PubChem CID172651683
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
SMILESCOCc1cc(OC)ccc1-c1cccc(C=O)c1
InChIInChI=1S/C16H16O3/c1-18-11-14-9-15(19-2)6-7-16(14)13-5-3-4-12(8-13)10-17/h3-10H,11H2,1-2H3
InChIKeyZAOYQXQHSCFFPI-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde
CID 172652021
3-[4-methoxy-2-(methoxymethyl)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 172652029
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172652041
1-ethenyl-3-fluoro-5-[4-methoxy-2-(methoxymethyl)phenyl]benzene
CID 172652027
3-(2-iodo-3-methoxyphenyl)benzaldehyde
CID 11078259
5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde
CID 11536183
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029174
3-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516184

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
The IUPAC name of 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde (CID 172651683) is 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde.
What is the SMILES notation for 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
The canonical SMILES for 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde is COCc1cc(OC)ccc1-c1cccc(C=O)c1.
What is the InChIKey of 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
The InChIKey is ZAOYQXQHSCFFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-11-14-9-15(19-2)6-7-16(14)13-5-3-4-12(8-13)10-17/h3-10H,11H2,1-2H3.
What are the key properties of 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde?
3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde is sourced from PubChem (CID 172651683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).