3-[(2-chlorophenyl)methoxy]propanal

C10H11ClO2 — CID 63038724

IUPAC3-[(2-chlorophenyl)methoxy]propanal
SMILESO=CCCOCc1ccccc1Cl
InChIInChI=1S/C10H11ClO2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12/h1-2,4-6H,3,7-8H2
InChIKeyZNNVVCJXCKYGFC-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.45
Rot. Bonds5

About 3-[(2-chlorophenyl)methoxy]propanal

3-[(2-chlorophenyl)methoxy]propanal (PubChem CID 63038724) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]propanal.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]propanal
PubChem CID63038724
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-[(2-chlorophenyl)methoxy]propanal
SMILESO=CCCOCc1ccccc1Cl
InChIInChI=1S/C10H11ClO2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12/h1-2,4-6H,3,7-8H2
InChIKeyZNNVVCJXCKYGFC-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-chlorophenyl)methoxy]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chlorophenyl)methoxy]butan-2-one
CID 62030218
1-chloro-2-(2-methylsulfanylethoxymethyl)benzene
CID 104863774
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
3-[(2-chlorophenyl)methoxy]propanehydrazide
CID 63586466
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151
4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
CID 43519712
1-chloro-2-(4-chlorobut-2-enoxymethyl)benzene
CID 77051437
3-[(2-chlorophenyl)methoxy]-N'-hydroxypropanimidamide
CID 24694095
2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
CID 115464549
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]propanal?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]propanal (CID 63038724) is 3-[(2-chlorophenyl)methoxy]propanal.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]propanal?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]propanal is O=CCCOCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]propanal?
The InChIKey is ZNNVVCJXCKYGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12/h1-2,4-6H,3,7-8H2.
What are the key properties of 3-[(2-chlorophenyl)methoxy]propanal?
3-[(2-chlorophenyl)methoxy]propanal has a molecular weight of 198.65 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]propanal is sourced from PubChem (CID 63038724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).