4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde

C16H15ClO2 — CID 87257562

IUPAC4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
SMILESCc1ccc(C)c(OCc2cc(Cl)ccc2C=O)c1
InChIInChI=1S/C16H15ClO2/c1-11-3-4-12(2)16(7-11)19-10-14-8-15(17)6-5-13(14)9-18/h3-9H,10H2,1-2H3
InChIKeyCSQHAERCBWAJQD-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde

4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde (PubChem CID 87257562) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
PubChem CID87257562
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
SMILESCc1ccc(C)c(OCc2cc(Cl)ccc2C=O)c1
InChIInChI=1S/C16H15ClO2/c1-11-3-4-12(2)16(7-11)19-10-14-8-15(17)6-5-13(14)9-18/h3-9H,10H2,1-2H3
InChIKeyCSQHAERCBWAJQD-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
3-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde;ethene
CID 87257616
1,1-diethoxyethane;2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257546
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
CID 19879846
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
2-[5-chloro-2-[(2,5-dimethylphenoxy)methyl]phenyl]-1,3-dioxolane
CID 123951615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde?
The IUPAC name of 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde (CID 87257562) is 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde?
The canonical SMILES for 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde is Cc1ccc(C)c(OCc2cc(Cl)ccc2C=O)c1.
What is the InChIKey of 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde?
The InChIKey is CSQHAERCBWAJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-3-4-12(2)16(7-11)19-10-14-8-15(17)6-5-13(14)9-18/h3-9H,10H2,1-2H3.
What are the key properties of 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde?
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde has a molecular weight of 274.75 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde is sourced from PubChem (CID 87257562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).