4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde

C16H16O4 — CID 62122305

IUPAC4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
SMILESCOc1cc(OC)cc(Oc2ccc(C=O)cc2C)c1
InChIInChI=1S/C16H16O4/c1-11-6-12(10-17)4-5-16(11)20-15-8-13(18-2)7-14(9-15)19-3/h4-10H,1-3H3
InChIKeyILRVPQGRZBENMX-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.62
Rot. Bonds5

About 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde

4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde (PubChem CID 62122305) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
PubChem CID62122305
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
SMILESCOc1cc(OC)cc(Oc2ccc(C=O)cc2C)c1
InChIInChI=1S/C16H16O4/c1-11-6-12(10-17)4-5-16(11)20-15-8-13(18-2)7-14(9-15)19-3/h4-10H,1-3H3
InChIKeyILRVPQGRZBENMX-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.62
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-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
CID 64601191
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
4-(3-chloro-4-nitrophenoxy)-3-methylbenzaldehyde
CID 62121798
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde
CID 63647839
3-(4-tert-butyl-2-methylphenoxy)-5-fluorobenzaldehyde
CID 106529538
3-methyl-4-pyrazin-2-yloxybenzaldehyde
CID 91569099
3-(4-bromo-2-methylphenoxy)-5-methoxyaniline
CID 80749253

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde?
The IUPAC name of 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde (CID 62122305) is 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde?
The canonical SMILES for 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde is COc1cc(OC)cc(Oc2ccc(C=O)cc2C)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde?
The InChIKey is ILRVPQGRZBENMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11-6-12(10-17)4-5-16(11)20-15-8-13(18-2)7-14(9-15)19-3/h4-10H,1-3H3.
What are the key properties of 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde?
4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde has a molecular weight of 272.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde is sourced from PubChem (CID 62122305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).