2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde

C18H20O4 — CID 22683414

IUPAC2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
SMILESCCc1ccc(OCCOc2c(C=O)cccc2OC)cc1
InChIInChI=1S/C18H20O4/c1-3-14-7-9-16(10-8-14)21-11-12-22-18-15(13-19)5-4-6-17(18)20-2/h4-10,13H,3,11-12H2,1-2H3
InChIKeyBZVLJXGACYKKON-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.53
Rot. Bonds8

About 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde

2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde (PubChem CID 22683414) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
PubChem CID22683414
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
SMILESCCc1ccc(OCCOc2c(C=O)cccc2OC)cc1
InChIInChI=1S/C18H20O4/c1-3-14-7-9-16(10-8-14)21-11-12-22-18-15(13-19)5-4-6-17(18)20-2/h4-10,13H,3,11-12H2,1-2H3
InChIKeyBZVLJXGACYKKON-UHFFFAOYSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.53
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

3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
N-[[2-[3-(4-ethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]-4-nitroaniline
CID 3972292
2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20990983
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-(4-ethylphenoxy)benzaldehyde
CID 29041486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
The IUPAC name of 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde (CID 22683414) is 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde is CCc1ccc(OCCOc2c(C=O)cccc2OC)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
The InChIKey is BZVLJXGACYKKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-14-7-9-16(10-8-14)21-11-12-22-18-15(13-19)5-4-6-17(18)20-2/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde?
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde has a molecular weight of 300.35 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 22683414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).