3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde

C16H14Cl2O3 — CID 883200

IUPAC3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-2-20-15-8-11(9-19)7-14(18)16(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3
InChIKeyXTZZRBSPLHOYMS-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.78
Rot. Bonds6

About 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde

3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde (PubChem CID 883200) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
PubChem CID883200
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-2-20-15-8-11(9-19)7-14(18)16(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3
InChIKeyXTZZRBSPLHOYMS-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
3-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]prop-2-enoic acid
CID 20984005
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 169383336
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851346
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
(5E)-5-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126136369
4-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3441903
4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
CID 4767250
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 66528859

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde?
The IUPAC name of 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde (CID 883200) is 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde.
What is the SMILES notation for 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde?
The canonical SMILES for 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde is CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1Cl.
What is the InChIKey of 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde?
The InChIKey is XTZZRBSPLHOYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-2-20-15-8-11(9-19)7-14(18)16(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3.
What are the key properties of 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde?
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde has a molecular weight of 325.19 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde is sourced from PubChem (CID 883200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).