5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde

C17H17ClO3 — CID 20992054

IUPAC5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
SMILESCc1ccc(C)c(OCCOc2ccc(Cl)cc2C=O)c1
InChIInChI=1S/C17H17ClO3/c1-12-3-4-13(2)17(9-12)21-8-7-20-16-6-5-15(18)10-14(16)11-19/h3-6,9-11H,7-8H2,1-2H3
InChIKeyPNBKJYGRLZODGD-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.23
Rot. Bonds6

About 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde

5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde (PubChem CID 20992054) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
PubChem CID20992054
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
SMILESCc1ccc(C)c(OCCOc2ccc(Cl)cc2C=O)c1
InChIInChI=1S/C17H17ClO3/c1-12-3-4-13(2)17(9-12)21-8-7-20-16-6-5-15(18)10-14(16)11-19/h3-6,9-11H,7-8H2,1-2H3
InChIKeyPNBKJYGRLZODGD-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.23
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-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
3-[5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 20990955
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde (CID 20992054) is 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde is Cc1ccc(C)c(OCCOc2ccc(Cl)cc2C=O)c1.
What is the InChIKey of 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde?
The InChIKey is PNBKJYGRLZODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-12-3-4-13(2)17(9-12)21-8-7-20-16-6-5-15(18)10-14(16)11-19/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde?
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde has a molecular weight of 304.77 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 20992054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).