2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde

C18H20O4 — CID 20984839

IUPAC2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCCOc2cc(C)ccc2C)c1
InChIInChI=1S/C18H20O4/c1-13-4-5-14(2)17(10-13)21-8-9-22-18-11-16(20-3)7-6-15(18)12-19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyVHFGBGRAGMYKCZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.58
Rot. Bonds7

About 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde

2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde (PubChem CID 20984839) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
PubChem CID20984839
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCCOc2cc(C)ccc2C)c1
InChIInChI=1S/C18H20O4/c1-13-4-5-14(2)17(10-13)21-8-9-22-18-11-16(20-3)7-6-15(18)12-19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyVHFGBGRAGMYKCZ-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-formyl-5-methoxyphenoxy)ethyl 4-methylbenzenesulfonate
CID 101412692
2-butoxy-4-methylbenzaldehyde
CID 162455333
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde?
The IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde (CID 20984839) is 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)c(OCCOc2cc(C)ccc2C)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde?
The InChIKey is VHFGBGRAGMYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-13-4-5-14(2)17(10-13)21-8-9-22-18-11-16(20-3)7-6-15(18)12-19/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde?
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-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-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 20984839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).