2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde

C15H12Cl2O2 — CID 65317531

IUPAC2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCc2cc(Cl)ccc2Cl)c(C=O)c1
InChIInChI=1S/C15H12Cl2O2/c1-10-2-5-15(11(6-10)8-18)19-9-12-7-13(16)3-4-14(12)17/h2-8H,9H2,1H3
InChIKeyYFWNDACIPNWNII-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.69
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde

2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde (PubChem CID 65317531) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
PubChem CID65317531
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCc2cc(Cl)ccc2Cl)c(C=O)c1
InChIInChI=1S/C15H12Cl2O2/c1-10-2-5-15(11(6-10)8-18)19-9-12-7-13(16)3-4-14(12)17/h2-8H,9H2,1H3
InChIKeyYFWNDACIPNWNII-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.69
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

2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
[2-[(2,5-dichlorophenyl)methoxy]-5-methylphenyl]boronic acid
CID 65316782
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde (CID 65317531) is 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde is Cc1ccc(OCc2cc(Cl)ccc2Cl)c(C=O)c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde?
The InChIKey is YFWNDACIPNWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-10-2-5-15(11(6-10)8-18)19-9-12-7-13(16)3-4-14(12)17/h2-8H,9H2,1H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde?
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde has a molecular weight of 295.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 65317531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).