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

C15H12Cl2O3 — CID 102939681

IUPAC3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCOCc1ccccc1
InChIInChI=1S/C15H12Cl2O3/c16-13-6-12(8-18)15(14(17)7-13)20-10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyIJGPOVTUYSZQFQ-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.36
Rot. Bonds6

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

3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde (PubChem CID 102939681) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
PubChem CID102939681
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCOCc1ccccc1
InChIInChI=1S/C15H12Cl2O3/c16-13-6-12(8-18)15(14(17)7-13)20-10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyIJGPOVTUYSZQFQ-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,5-dichloro-2-(phenylmethoxymethoxy)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

3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
2-[(4-tert-butylphenyl)methoxy]-3,5-dichlorobenzaldehyde
CID 129323176
1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene
CID 102467504
1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide
CID 20850887
5-chloro-2-(8-phenyloctoxy)benzene-1,3-dicarbaldehyde
CID 19930257
3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
CID 79227558
5-[(2,4-dichloro-6-formylphenoxy)methyl]-2-fluorobenzonitrile
CID 107881556
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
3,5-dimethyl-4-(phenylmethoxymethoxy)aniline
CID 102939316
4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde?
The IUPAC name of 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde (CID 102939681) is 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde?
The canonical SMILES for 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde is O=Cc1cc(Cl)cc(Cl)c1OCOCc1ccccc1.
What is the InChIKey of 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde?
The InChIKey is IJGPOVTUYSZQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-13-6-12(8-18)15(14(17)7-13)20-10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde?
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde has a molecular weight of 311.16 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde is sourced from PubChem (CID 102939681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).