3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde

C19H22O4 — CID 22684618

IUPAC3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22O4/c1-14(2)16-5-7-17(8-6-16)22-10-11-23-18-9-4-15(13-20)12-19(18)21-3/h4-9,12-14H,10-11H2,1-3H3
InChIKeyKDQVPEXMYBFEET-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.09
Rot. Bonds8

About 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde

3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde (PubChem CID 22684618) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
PubChem CID22684618
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22O4/c1-14(2)16-5-7-17(8-6-16)22-10-11-23-18-9-4-15(13-20)12-19(18)21-3/h4-9,12-14H,10-11H2,1-3H3
InChIKeyKDQVPEXMYBFEET-UHFFFAOYSA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.09
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-4-[2-(4-nitrophenoxy)ethoxy]benzaldehyde
CID 2293777
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
3-[4-methoxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22686274
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2284376
3-methoxy-4-[3-(4-pyrrol-1-ylphenoxy)propoxy]benzaldehyde
CID 122177780
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
CID 7139023
4-(3-amino-3-hydroxypropoxy)-3-methoxybenzaldehyde
CID 174439542
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde (CID 22684618) is 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde is COc1cc(C=O)ccc1OCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde?
The InChIKey is KDQVPEXMYBFEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-14(2)16-5-7-17(8-6-16)22-10-11-23-18-9-4-15(13-20)12-19(18)21-3/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde?
3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde has a molecular weight of 314.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 22684618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).