5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde

C16H15ClO2 — CID 63530846

IUPAC5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(C)c(COc2ccc(Cl)cc2C=O)c1
InChIInChI=1S/C16H15ClO2/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(17)8-13(16)9-18/h3-9H,10H2,1-2H3
InChIKeyYCYDESQNLWRDTQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.35
Rot. Bonds4

About 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde

5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde (PubChem CID 63530846) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
PubChem CID63530846
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(C)c(COc2ccc(Cl)cc2C=O)c1
InChIInChI=1S/C16H15ClO2/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(17)8-13(16)9-18/h3-9H,10H2,1-2H3
InChIKeyYCYDESQNLWRDTQ-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-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
CID 142322438
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde (CID 63530846) is 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde is Cc1ccc(C)c(COc2ccc(Cl)cc2C=O)c1.
What is the InChIKey of 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde?
The InChIKey is YCYDESQNLWRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(17)8-13(16)9-18/h3-9H,10H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde?
5-chloro-2-[(2,5-dimethylphenyl)methoxy]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 5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 63530846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).