3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde

C19H21ClO4 — CID 20992812

IUPAC3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
SMILESCCCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OC)cc1
InChIInChI=1S/C19H21ClO4/c1-3-4-14-5-7-16(8-6-14)23-9-10-24-19-17(20)11-15(13-21)12-18(19)22-2/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyONEQVCIMPAQJKD-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.57
Rot. Bonds9

About 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde

3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde (PubChem CID 20992812) has the molecular formula C19H21ClO4 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
PubChem CID20992812
Molecular FormulaC19H21ClO4
Molecular Weight348.83 g/mol
Exact Mass348.11
IUPAC Name3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
SMILESCCCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OC)cc1
InChIInChI=1S/C19H21ClO4/c1-3-4-14-5-7-16(8-6-14)23-9-10-24-19-17(20)11-15(13-21)12-18(19)22-2/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyONEQVCIMPAQJKD-UHFFFAOYSA-N
XLogP4.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.57
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-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 22680981
3-chloro-5-methoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzaldehyde
CID 22683491
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
CID 22682955
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
3-chloro-5-ethoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2228014
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
3-bromo-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxybenzaldehyde
CID 2219723
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde (CID 20992812) is 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde is CCCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OC)cc1.
What is the InChIKey of 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The InChIKey is ONEQVCIMPAQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO4/c1-3-4-14-5-7-16(8-6-14)23-9-10-24-19-17(20)11-15(13-21)12-18(19)22-2/h5-8,11-13H,3-4,9-10H2,1-2H3.
What are the key properties of 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde has a molecular weight of 348.83 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 20992812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).