2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde

C14H10Cl2O2 — CID 114054289

IUPAC2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
SMILESCc1ccc(Oc2cccc(Cl)c2Cl)c(C=O)c1
InChIInChI=1S/C14H10Cl2O2/c1-9-5-6-12(10(7-9)8-17)18-13-4-2-3-11(15)14(13)16/h2-8H,1H3
InChIKeyOEOAVYQRPOPJRT-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.91
Rot. Bonds3

About 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde

2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde (PubChem CID 114054289) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
PubChem CID114054289
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
SMILESCc1ccc(Oc2cccc(Cl)c2Cl)c(C=O)c1
InChIInChI=1S/C14H10Cl2O2/c1-9-5-6-12(10(7-9)8-17)18-13-4-2-3-11(15)14(13)16/h2-8H,1H3
InChIKeyOEOAVYQRPOPJRT-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.91
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

4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
CID 114276745
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
CID 87204536
2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
CID 114844809
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde
CID 87405593
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde?
The IUPAC name of 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde (CID 114054289) is 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde is Cc1ccc(Oc2cccc(Cl)c2Cl)c(C=O)c1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde?
The InChIKey is OEOAVYQRPOPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-9-5-6-12(10(7-9)8-17)18-13-4-2-3-11(15)14(13)16/h2-8H,1H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde?
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde has a molecular weight of 281.14 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde is sourced from PubChem (CID 114054289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).