3,5-dichloro-2-(2-phenylethoxy)benzaldehyde

C15H12Cl2O2 — CID 18353665

IUPAC3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c16-13-8-12(10-18)15(14(17)9-13)19-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyZEVRYQPIWBTQQC-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.43
Rot. Bonds5

About 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde

3,5-dichloro-2-(2-phenylethoxy)benzaldehyde (PubChem CID 18353665) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
PubChem CID18353665
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c16-13-8-12(10-18)15(14(17)9-13)19-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyZEVRYQPIWBTQQC-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde 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

5-chloro-2-(8-phenyloctoxy)benzene-1,3-dicarbaldehyde
CID 19930257
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
(2,4-dichloro-6-formylphenyl) 3-bromo-4-(2-phenylethoxy)benzoate
CID 23013347
1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
CID 43516371
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
3,5-dichloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355476
5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde
CID 54849840
2-[(4-tert-butylphenyl)methoxy]-3,5-dichlorobenzaldehyde
CID 129323176
3,5-dichloro-2-(2-propan-2-ylsulfonylethoxy)benzaldehyde
CID 106725141
5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
CID 104665438
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde?
The IUPAC name of 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde (CID 18353665) is 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde?
The canonical SMILES for 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde is O=Cc1cc(Cl)cc(Cl)c1OCCc1ccccc1.
What is the InChIKey of 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde?
The InChIKey is ZEVRYQPIWBTQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-13-8-12(10-18)15(14(17)9-13)19-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde?
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde has a molecular weight of 295.17 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-phenylethoxy)benzaldehyde is sourced from PubChem (CID 18353665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).