5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde

C17H9Cl3O2 — CID 125482898

IUPAC5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1cc(Oc2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C17H9Cl3O2/c18-11-1-3-13(4-2-11)22-14-5-10(9-21)15-6-12(19)7-17(20)16(15)8-14/h1-9H
InChIKeyXYDKEQWLDXOOSM-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.40
Rot. Bonds3

About 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde

5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde (PubChem CID 125482898) has the molecular formula C17H9Cl3O2 and a molecular weight of 351.62 g/mol. Its IUPAC name is 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde
PubChem CID125482898
Molecular FormulaC17H9Cl3O2
Molecular Weight351.62 g/mol
Exact Mass349.97
IUPAC Name5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1cc(Oc2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C17H9Cl3O2/c18-11-1-3-13(4-2-11)22-14-5-10(9-21)15-6-12(19)7-17(20)16(15)8-14/h1-9H
InChIKeyXYDKEQWLDXOOSM-UHFFFAOYSA-N
XLogP6.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde 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

7-(4-Chlorobenzyloxy)-1-tetralone
CID 23353468
7-(3Chlorobenzyloxy)tetralone
CID 23353531
3-(3-Chlorophenyl)benzo[f]chromen-1-one
CID 145989645
3-(2,3-Dichlorophenyl)benzo[f]chromen-1-one
CID 145993289
2-[(2,4-Dichlorobenzyl)oxy]-1-naphthaldehyde
CID 737537
6-((4-Chlorobenzyl)oxy)-3,4-dihydronaphthalen-1(2H)-one
CID 13067328
(1E)-1-[(2,4-dichlorophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-2-one
CID 60165791
6-((3-Chlorobenzyl)oxy)-3,4-dihydronaphthalen-1(2H)-one
CID 61833723
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 155563791
7-(2,6-Dichlorobenzyloxy)-4-phenyl-2-naphthoic acid
CID 54584877
2-(3,5-Dichlorophenyl)benzo[h]chromen-4-one
CID 155552958
(4-Chlorophenyl)(4-methoxy-1-naphthyl)methanone
CID 604058

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde (CID 125482898) is 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde is O=Cc1cc(Oc2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde?
The InChIKey is XYDKEQWLDXOOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3O2/c18-11-1-3-13(4-2-11)22-14-5-10(9-21)15-6-12(19)7-17(20)16(15)8-14/h1-9H.
What are the key properties of 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde?
5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde has a molecular weight of 351.62 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 125482898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).