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

C18H19ClO3 — CID 20988288

IUPAC5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
SMILESCCCc1ccc(OCCOc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C18H19ClO3/c1-2-3-14-4-7-17(8-5-14)21-10-11-22-18-9-6-16(19)12-15(18)13-20/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeySUDBVOMZBDNRNQ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.56
Rot. Bonds8

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

5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde (PubChem CID 20988288) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
PubChem CID20988288
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
SMILESCCCc1ccc(OCCOc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C18H19ClO3/c1-2-3-14-4-7-17(8-5-14)21-10-11-22-18-9-6-16(19)12-15(18)13-20/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeySUDBVOMZBDNRNQ-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
CID 22687213
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 22680981
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
5-chloro-2-pent-3-ynoxybenzaldehyde
CID 104744169
5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
(4-propylphenyl) 4-(4-chlorophenoxy)butanoate
CID 19184295
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 114844824

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde (CID 20988288) is 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde is CCCc1ccc(OCCOc2ccc(Cl)cc2C=O)cc1.
What is the InChIKey of 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The InChIKey is SUDBVOMZBDNRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-2-3-14-4-7-17(8-5-14)21-10-11-22-18-9-6-16(19)12-15(18)13-20/h4-9,12-13H,2-3,10-11H2,1H3.
What are the key properties of 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde has a molecular weight of 318.80 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 20988288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).