2,6-dichloro-3-ethylbenzaldehyde

C9H8Cl2O — CID 86691282

IUPAC2,6-dichloro-3-ethylbenzaldehyde
SMILESCCc1ccc(Cl)c(C=O)c1Cl
InChIInChI=1S/C9H8Cl2O/c1-2-6-3-4-8(10)7(5-12)9(6)11/h3-5H,2H2,1H3
InChIKeyOEKGBBXRGBUJLS-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.37
Rot. Bonds2

About 2,6-dichloro-3-ethylbenzaldehyde

2,6-dichloro-3-ethylbenzaldehyde (PubChem CID 86691282) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 2,6-dichloro-3-ethylbenzaldehyde.

Molecular Properties

Compound Name2,6-dichloro-3-ethylbenzaldehyde
PubChem CID86691282
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name2,6-dichloro-3-ethylbenzaldehyde
SMILESCCc1ccc(Cl)c(C=O)c1Cl
InChIInChI=1S/C9H8Cl2O/c1-2-6-3-4-8(10)7(5-12)9(6)11/h3-5H,2H2,1H3
InChIKeyOEKGBBXRGBUJLS-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichloro-3-formylphenyl)boronic acid
CID 130058693
3-chloro-4-ethyl-2-fluorobenzaldehyde
CID 178189070
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2,6-dichlorobenzaldehyde;ethane
CID 90823593
3-chloro-5-ethylpyridine-4-carbaldehyde
CID 170993145
5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde
CID 130984991
1,3-dichloro-2,4-dipropylbenzene
CID 54410685
4-chloro-5-ethyl-1-benzothiophene-2-carbaldehyde
CID 130926385
2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde
CID 25136411
2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 59803842
2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
CID 87530656
2,6,7-trichloro-1-ethylindole-3-carbaldehyde
CID 82269486

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-ethylbenzaldehyde?
The IUPAC name of 2,6-dichloro-3-ethylbenzaldehyde (CID 86691282) is 2,6-dichloro-3-ethylbenzaldehyde.
What is the SMILES notation for 2,6-dichloro-3-ethylbenzaldehyde?
The canonical SMILES for 2,6-dichloro-3-ethylbenzaldehyde is CCc1ccc(Cl)c(C=O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-ethylbenzaldehyde?
The InChIKey is OEKGBBXRGBUJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-2-6-3-4-8(10)7(5-12)9(6)11/h3-5H,2H2,1H3.
What are the key properties of 2,6-dichloro-3-ethylbenzaldehyde?
2,6-dichloro-3-ethylbenzaldehyde has a molecular weight of 203.07 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-ethylbenzaldehyde is sourced from PubChem (CID 86691282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).