2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde

C18H12Cl2O2 — CID 737537

IUPAC2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C18H12Cl2O2/c19-14-7-5-13(17(20)9-14)11-22-18-8-6-12-3-1-2-4-15(12)16(18)10-21/h1-10H,11H2
InChIKeyMBLSKTHLXLXJBL-UHFFFAOYSA-N
MW331.20 g/mol
LogP5.54
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde

2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 737537) has the molecular formula C18H12Cl2O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde
PubChem CID737537
Molecular FormulaC18H12Cl2O2
Molecular Weight331.20 g/mol
Exact Mass330.02
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C18H12Cl2O2/c19-14-7-5-13(17(20)9-14)11-22-18-8-6-12-3-1-2-4-15(12)16(18)10-21/h1-10H,11H2
InChIKeyMBLSKTHLXLXJBL-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.20
LogP ≤ 55.54
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 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde (CID 737537) is 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is MBLSKTHLXLXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O2/c19-14-7-5-13(17(20)9-14)11-22-18-8-6-12-3-1-2-4-15(12)16(18)10-21/h1-10H,11H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde?
2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 331.20 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 737537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).