3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde

C18H20O4 — CID 7138980

IUPAC3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde
SMILESCCOc1c(OC)cc(C=O)cc1Oc1cccc(C)c1C
InChIInChI=1S/C18H20O4/c1-5-21-18-16(20-4)9-14(11-19)10-17(18)22-15-8-6-7-12(2)13(15)3/h6-11H,5H2,1-4H3
InChIKeyHQYSECQMRUEOEJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.32
Rot. Bonds6

About 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde

3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde (PubChem CID 7138980) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde
PubChem CID7138980
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde
SMILESCCOc1c(OC)cc(C=O)cc1Oc1cccc(C)c1C
InChIInChI=1S/C18H20O4/c1-5-21-18-16(20-4)9-14(11-19)10-17(18)22-15-8-6-7-12(2)13(15)3/h6-11H,5H2,1-4H3
InChIKeyHQYSECQMRUEOEJ-UHFFFAOYSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.32
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-bromo-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxybenzaldehyde
CID 20985728
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139008
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
3-(2,4-dimethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139130
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde
CID 139667208

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde?
The IUPAC name of 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde (CID 7138980) is 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde is CCOc1c(OC)cc(C=O)cc1Oc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde?
The InChIKey is HQYSECQMRUEOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-5-21-18-16(20-4)9-14(11-19)10-17(18)22-15-8-6-7-12(2)13(15)3/h6-11H,5H2,1-4H3.
What are the key properties of 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde?
3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde has a molecular weight of 300.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde is sourced from PubChem (CID 7138980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).