2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde

C15H12Cl2O3 — CID 65317291

IUPAC2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2cc(Cl)ccc2Cl)c(C=O)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-13-3-5-15(10(7-13)8-18)20-9-11-6-12(16)2-4-14(11)17/h2-8H,9H2,1H3
InChIKeyNCPLKAUQXPVYEQ-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.39
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde

2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde (PubChem CID 65317291) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
PubChem CID65317291
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2cc(Cl)ccc2Cl)c(C=O)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-13-3-5-15(10(7-13)8-18)20-9-11-6-12(16)2-4-14(11)17/h2-8H,9H2,1H3
InChIKeyNCPLKAUQXPVYEQ-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde 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

2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
CID 65317020
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
(1S)-1-[2-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002549
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
CID 22687213
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde
CID 152794589
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde (CID 65317291) is 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde is COc1ccc(OCc2cc(Cl)ccc2Cl)c(C=O)c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is NCPLKAUQXPVYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-13-3-5-15(10(7-13)8-18)20-9-11-6-12(16)2-4-14(11)17/h2-8H,9H2,1H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde?
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 311.16 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 65317291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).