3-(4-chloronaphthalen-1-yl)oxypropanal

C13H11ClO2 — CID 63040435

IUPAC3-(4-chloronaphthalen-1-yl)oxypropanal
SMILESO=CCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C13H11ClO2/c14-12-6-7-13(16-9-3-8-15)11-5-2-1-4-10(11)12/h1-2,4-8H,3,9H2
InChIKeyOORIGRMDIGWKKB-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-chloronaphthalen-1-yl)oxypropanal

3-(4-chloronaphthalen-1-yl)oxypropanal (PubChem CID 63040435) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxypropanal.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxypropanal
PubChem CID63040435
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name3-(4-chloronaphthalen-1-yl)oxypropanal
SMILESO=CCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C13H11ClO2/c14-12-6-7-13(16-9-3-8-15)11-5-2-1-4-10(11)12/h1-2,4-8H,3,9H2
InChIKeyOORIGRMDIGWKKB-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
CID 80632138
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
3-(2-iodophenoxy)propanal
CID 63039119
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]pyrrolidin-1-ium
CID 7241063
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxypropanal?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxypropanal (CID 63040435) is 3-(4-chloronaphthalen-1-yl)oxypropanal.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxypropanal?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxypropanal is O=CCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxypropanal?
The InChIKey is OORIGRMDIGWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-12-6-7-13(16-9-3-8-15)11-5-2-1-4-10(11)12/h1-2,4-8H,3,9H2.
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxypropanal?
3-(4-chloronaphthalen-1-yl)oxypropanal has a molecular weight of 234.68 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)oxypropanal is sourced from PubChem (CID 63040435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).