3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde

C17H18O3 — CID 172652021

IUPAC3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde
SMILESCOCc1cc(OC)ccc1-c1cc(C)cc(C=O)c1
InChIInChI=1S/C17H18O3/c1-12-6-13(10-18)8-14(7-12)17-5-4-16(20-3)9-15(17)11-19-2/h4-10H,11H2,1-3H3
InChIKeyYJUDEJGCZKDGPZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.63
Rot. Bonds5

About 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde

3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde (PubChem CID 172652021) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde
PubChem CID172652021
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde
SMILESCOCc1cc(OC)ccc1-c1cc(C)cc(C=O)c1
InChIInChI=1S/C17H18O3/c1-12-6-13(10-18)8-14(7-12)17-5-4-16(20-3)9-15(17)11-19-2/h4-10H,11H2,1-3H3
InChIKeyYJUDEJGCZKDGPZ-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.63
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-(trifluoromethyl)benzaldehyde
CID 172652029
3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172651683
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-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
CID 123307453
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705
5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
2-methoxy-1-(methoxymethyl)-4-(4-methoxy-2-methylphenyl)benzene
CID 143812999
4-(2-amino-4-methoxyphenyl)benzaldehyde
CID 82039256
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
5-methoxy-3-(methoxymethyl)phthalaldehyde
CID 86118704

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde?
The IUPAC name of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde (CID 172652021) is 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde.
What is the SMILES notation for 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde?
The canonical SMILES for 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde is COCc1cc(OC)ccc1-c1cc(C)cc(C=O)c1.
What is the InChIKey of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde?
The InChIKey is YJUDEJGCZKDGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-6-13(10-18)8-14(7-12)17-5-4-16(20-3)9-15(17)11-19-2/h4-10H,11H2,1-3H3.
What are the key properties of 3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde?
3-[4-methoxy-2-(methoxymethyl)phenyl]-5-methylbenzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.63, 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]-5-methylbenzaldehyde is sourced from PubChem (CID 172652021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).