2-(2-chloro-3-ethylphenyl)propanal

C11H13ClO — CID 134639593

IUPAC2-(2-chloro-3-ethylphenyl)propanal
SMILESCCc1cccc(C(C)C=O)c1Cl
InChIInChI=1S/C11H13ClO/c1-3-9-5-4-6-10(11(9)12)8(2)7-13/h4-8H,3H2,1-2H3
InChIKeyRTSFGCHGXQIQCC-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.20
Rot. Bonds3

About 2-(2-chloro-3-ethylphenyl)propanal

2-(2-chloro-3-ethylphenyl)propanal (PubChem CID 134639593) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(2-chloro-3-ethylphenyl)propanal.

Molecular Properties

Compound Name2-(2-chloro-3-ethylphenyl)propanal
PubChem CID134639593
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-(2-chloro-3-ethylphenyl)propanal
SMILESCCc1cccc(C(C)C=O)c1Cl
InChIInChI=1S/C11H13ClO/c1-3-9-5-4-6-10(11(9)12)8(2)7-13/h4-8H,3H2,1-2H3
InChIKeyRTSFGCHGXQIQCC-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.20
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-(3-ethyl-2-iodophenyl)propanal
CID 134639687
2-(2-ethyl-3-sulfanylphenyl)propanal
CID 134639691
2-[2,3-bis(sulfanyl)phenyl]propanal
CID 134639273
2-[2-(chloromethyl)-3-iodophenyl]propanal
CID 134639770
2-[3-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639454
3-(3-chloro-2-ethylphenyl)-2-methylpropanal
CID 91884073
2-[(2S)-butan-2-yl]-6-ethylbenzaldehyde
CID 124562964
2-(2-chloro-6-ethoxyphenyl)propanal
CID 134639769
1-butyl-2-chloro-3-ethylbenzene
CID 139904751
2-ethoxy-6-(1-oxopropan-2-yl)benzonitrile
CID 134639504
2-(3-fluoro-2-sulfanylphenyl)propanal
CID 134640182
2-iodo-3-(1-oxopropan-2-yl)benzaldehyde
CID 134640100

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-ethylphenyl)propanal?
The IUPAC name of 2-(2-chloro-3-ethylphenyl)propanal (CID 134639593) is 2-(2-chloro-3-ethylphenyl)propanal.
What is the SMILES notation for 2-(2-chloro-3-ethylphenyl)propanal?
The canonical SMILES for 2-(2-chloro-3-ethylphenyl)propanal is CCc1cccc(C(C)C=O)c1Cl.
What is the InChIKey of 2-(2-chloro-3-ethylphenyl)propanal?
The InChIKey is RTSFGCHGXQIQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-3-9-5-4-6-10(11(9)12)8(2)7-13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-3-ethylphenyl)propanal?
2-(2-chloro-3-ethylphenyl)propanal has a molecular weight of 196.68 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-ethylphenyl)propanal is sourced from PubChem (CID 134639593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).