8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde

C15H14O2 — CID 603806

IUPAC8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde
SMILESC=CCOCc1cccc2cccc(C=O)c12
InChIInChI=1S/C15H14O2/c1-2-9-17-11-14-8-4-6-12-5-3-7-13(10-16)15(12)14/h2-8,10H,1,9,11H2
InChIKeyNRADWPYGJSZIQH-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.35
Rot. Bonds5

About 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde

8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde (PubChem CID 603806) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde
PubChem CID603806
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde
SMILESC=CCOCc1cccc2cccc(C=O)c12
InChIInChI=1S/C15H14O2/c1-2-9-17-11-14-8-4-6-12-5-3-7-13(10-16)15(12)14/h2-8,10H,1,9,11H2
InChIKeyNRADWPYGJSZIQH-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde?
The IUPAC name of 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde (CID 603806) is 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde is C=CCOCc1cccc2cccc(C=O)c12.
What is the InChIKey of 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde?
The InChIKey is NRADWPYGJSZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-9-17-11-14-8-4-6-12-5-3-7-13(10-16)15(12)14/h2-8,10H,1,9,11H2.
What are the key properties of 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde?
8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(prop-2-enoxymethyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 603806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).