2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde

C18H20O4 — CID 20985626

IUPAC2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCCOc1cccc(C)c1C
InChIInChI=1S/C18H20O4/c1-13-6-4-8-16(14(13)2)21-10-11-22-18-15(12-19)7-5-9-17(18)20-3/h4-9,12H,10-11H2,1-3H3
InChIKeyICADICMVSDVBFS-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.58
Rot. Bonds7

About 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde

2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde (PubChem CID 20985626) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
PubChem CID20985626
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCCOc1cccc(C)c1C
InChIInChI=1S/C18H20O4/c1-13-6-4-8-16(14(13)2)21-10-11-22-18-15(12-19)7-5-9-17(18)20-3/h4-9,12H,10-11H2,1-3H3
InChIKeyICADICMVSDVBFS-UHFFFAOYSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20990983
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
3-bromo-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxybenzaldehyde
CID 20985728
2-[2-(2,3,6-trimethylphenoxy)ethoxy]benzaldehyde
CID 20989910
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
The IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde (CID 20985626) is 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCCOc1cccc(C)c1C.
What is the InChIKey of 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
The InChIKey is ICADICMVSDVBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-13-6-4-8-16(14(13)2)21-10-11-22-18-15(12-19)7-5-9-17(18)20-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde has a molecular weight of 300.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 20985626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).