4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde

C18H12ClFO2 — CID 87502246

IUPAC4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C18H12ClFO2/c19-16-9-12(5-7-17(16)20)11-22-18-8-6-13(10-21)14-3-1-2-4-15(14)18/h1-10H,11H2
InChIKeyXLXADDGYJCFOQL-UHFFFAOYSA-N
MW314.74 g/mol
LogP5.02
Rot. Bonds4

About 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde

4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 87502246) has the molecular formula C18H12ClFO2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
PubChem CID87502246
Molecular FormulaC18H12ClFO2
Molecular Weight314.74 g/mol
Exact Mass314.05
IUPAC Name4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C18H12ClFO2/c19-16-9-12(5-7-17(16)20)11-22-18-8-6-13(10-21)14-3-1-2-4-15(14)18/h1-10H,11H2
InChIKeyXLXADDGYJCFOQL-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.74
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
2-[(3-chloro-4-fluorophenyl)methoxy]-5-nitrobenzaldehyde
CID 102974826
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 115955681
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
4-(sulfanylmethoxy)naphthalene-1-carbaldehyde
CID 88819340
4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 103037941
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037684
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde (CID 87502246) is 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde is O=Cc1ccc(OCc2ccc(F)c(Cl)c2)c2ccccc12.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is XLXADDGYJCFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO2/c19-16-9-12(5-7-17(16)20)11-22-18-8-6-13(10-21)14-3-1-2-4-15(14)18/h1-10H,11H2.
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde?
4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 314.74 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 87502246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).