2-(2-chloro-6-ethoxyphenyl)propanal

C11H13ClO2 — CID 134639769

IUPAC2-(2-chloro-6-ethoxyphenyl)propanal
SMILESCCOc1cccc(Cl)c1C(C)C=O
InChIInChI=1S/C11H13ClO2/c1-3-14-10-6-4-5-9(12)11(10)8(2)7-13/h4-8H,3H2,1-2H3
InChIKeyYVLWZWPICHNJSH-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-chloro-6-ethoxyphenyl)propanal

2-(2-chloro-6-ethoxyphenyl)propanal (PubChem CID 134639769) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(2-chloro-6-ethoxyphenyl)propanal.

Molecular Properties

Compound Name2-(2-chloro-6-ethoxyphenyl)propanal
PubChem CID134639769
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(2-chloro-6-ethoxyphenyl)propanal
SMILESCCOc1cccc(Cl)c1C(C)C=O
InChIInChI=1S/C11H13ClO2/c1-3-14-10-6-4-5-9(12)11(10)8(2)7-13/h4-8H,3H2,1-2H3
InChIKeyYVLWZWPICHNJSH-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.04
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-(2-ethoxy-6-sulfanylphenyl)propanal
CID 134639561
2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal
CID 134639459
1-(2-chloro-6-ethoxyphenyl)ethanamine
CID 130164060
2-ethoxy-6-(1-oxopropan-2-yl)benzonitrile
CID 134639504
2-chloro-2-(2,6-diethoxyphenyl)acetamide
CID 70093878
3-ethoxy-2-propan-2-ylaniline
CID 154678316
2-chloro-6-(2-methylbutoxy)benzaldehyde
CID 62104198
3-ethoxy-4-(1-oxopropan-2-yl)benzaldehyde
CID 134640111
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
2-[3-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639454
2-(2-chloro-3-ethylphenyl)propanal
CID 134639593
2-chloro-6-(2,2-diethoxyethoxy)benzaldehyde
CID 114459538

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-ethoxyphenyl)propanal?
The IUPAC name of 2-(2-chloro-6-ethoxyphenyl)propanal (CID 134639769) is 2-(2-chloro-6-ethoxyphenyl)propanal.
What is the SMILES notation for 2-(2-chloro-6-ethoxyphenyl)propanal?
The canonical SMILES for 2-(2-chloro-6-ethoxyphenyl)propanal is CCOc1cccc(Cl)c1C(C)C=O.
What is the InChIKey of 2-(2-chloro-6-ethoxyphenyl)propanal?
The InChIKey is YVLWZWPICHNJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-14-10-6-4-5-9(12)11(10)8(2)7-13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-6-ethoxyphenyl)propanal?
2-(2-chloro-6-ethoxyphenyl)propanal has a molecular weight of 212.68 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-ethoxyphenyl)propanal is sourced from PubChem (CID 134639769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).