4-(2,3-dichloropropyl)benzaldehyde

C10H10Cl2O — CID 87468753

IUPAC4-(2,3-dichloropropyl)benzaldehyde
SMILESO=Cc1ccc(CC(Cl)CCl)cc1
InChIInChI=1S/C10H10Cl2O/c11-6-10(12)5-8-1-3-9(7-13)4-2-8/h1-4,7,10H,5-6H2
InChIKeyLETJUNXBZNJHRR-UHFFFAOYSA-N
MW217.09 g/mol
LogP2.89
Rot. Bonds4

About 4-(2,3-dichloropropyl)benzaldehyde

4-(2,3-dichloropropyl)benzaldehyde (PubChem CID 87468753) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 4-(2,3-dichloropropyl)benzaldehyde.

Molecular Properties

Compound Name4-(2,3-dichloropropyl)benzaldehyde
PubChem CID87468753
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name4-(2,3-dichloropropyl)benzaldehyde
SMILESO=Cc1ccc(CC(Cl)CCl)cc1
InChIInChI=1S/C10H10Cl2O/c11-6-10(12)5-8-1-3-9(7-13)4-2-8/h1-4,7,10H,5-6H2
InChIKeyLETJUNXBZNJHRR-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 52.89
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

4-(2,2-dihydroxyethyl)benzaldehyde
CID 20644922
4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde
CID 142223936
4-[2-(4-formylphenyl)propyl]benzaldehyde
CID 141344923
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
4-(3-oxopropyl)benzaldehyde
CID 12927813
4-[[4,7,10-tris[(4-formylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]benzaldehyde
CID 154202644
dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
CID 160602999
4-[3,3-bis(sulfanyl)propyl]benzaldehyde
CID 57042412
4-[chloro(fluoro)methyl]benzaldehyde
CID 54039604
(2S)-3-[4-[(4-formylphenyl)methyl]phenyl]-2-(methylamino)propanoic acid
CID 87405104
benzene;terephthalaldehyde
CID 163498156

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloropropyl)benzaldehyde?
The IUPAC name of 4-(2,3-dichloropropyl)benzaldehyde (CID 87468753) is 4-(2,3-dichloropropyl)benzaldehyde.
What is the SMILES notation for 4-(2,3-dichloropropyl)benzaldehyde?
The canonical SMILES for 4-(2,3-dichloropropyl)benzaldehyde is O=Cc1ccc(CC(Cl)CCl)cc1.
What is the InChIKey of 4-(2,3-dichloropropyl)benzaldehyde?
The InChIKey is LETJUNXBZNJHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c11-6-10(12)5-8-1-3-9(7-13)4-2-8/h1-4,7,10H,5-6H2.
What are the key properties of 4-(2,3-dichloropropyl)benzaldehyde?
4-(2,3-dichloropropyl)benzaldehyde has a molecular weight of 217.09 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloropropyl)benzaldehyde is sourced from PubChem (CID 87468753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).