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'}

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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).