2-chloro-3-(2-propylphenyl)propanal

C12H15ClO — CID 62396063

IUPAC2-chloro-3-(2-propylphenyl)propanal
SMILESCCCc1ccccc1CC(Cl)C=O
InChIInChI=1S/C12H15ClO/c1-2-5-10-6-3-4-7-11(10)8-12(13)9-14/h3-4,6-7,9,12H,2,5,8H2,1H3
InChIKeyJIPVOZVIPOUWMP-UHFFFAOYSA-N
MW210.70 g/mol
LogP2.99
Rot. Bonds5

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

2-chloro-3-(2-propylphenyl)propanal (PubChem CID 62396063) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 2-chloro-3-(2-propylphenyl)propanal.

Molecular Properties

Compound Name2-chloro-3-(2-propylphenyl)propanal
PubChem CID62396063
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name2-chloro-3-(2-propylphenyl)propanal
SMILESCCCc1ccccc1CC(Cl)C=O
InChIInChI=1S/C12H15ClO/c1-2-5-10-6-3-4-7-11(10)8-12(13)9-14/h3-4,6-7,9,12H,2,5,8H2,1H3
InChIKeyJIPVOZVIPOUWMP-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(2-fluorophenyl)propanal
CID 62393370
2-(2-propylphenyl)acetic acid
CID 46897017
1-prop-2-enyl-2-propylbenzene
CID 12585186
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-hept-3-enyl-2-propylbenzene
CID 91473483
(2-propylphenyl) thiohypochlorite
CID 144705767
1-but-2-enyl-2-propylbenzene
CID 139617865
(2-propylphenyl) formate
CID 54498769
ethane;(2-propylphenyl)methanethiol
CID 142320785
methyl formate;2-propylaniline
CID 174944298
(2-propylphenyl) hydrogen sulfate
CID 22461372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-propylphenyl)propanal?
The IUPAC name of 2-chloro-3-(2-propylphenyl)propanal (CID 62396063) is 2-chloro-3-(2-propylphenyl)propanal.
What is the SMILES notation for 2-chloro-3-(2-propylphenyl)propanal?
The canonical SMILES for 2-chloro-3-(2-propylphenyl)propanal is CCCc1ccccc1CC(Cl)C=O.
What is the InChIKey of 2-chloro-3-(2-propylphenyl)propanal?
The InChIKey is JIPVOZVIPOUWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-2-5-10-6-3-4-7-11(10)8-12(13)9-14/h3-4,6-7,9,12H,2,5,8H2,1H3.
What are the key properties of 2-chloro-3-(2-propylphenyl)propanal?
2-chloro-3-(2-propylphenyl)propanal has a molecular weight of 210.70 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-propylphenyl)propanal is sourced from PubChem (CID 62396063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).