8-(methoxymethyl)naphthalene-1-carbaldehyde

C13H12O2 — CID 22022215

IUPAC8-(methoxymethyl)naphthalene-1-carbaldehyde
SMILESCOCc1cccc2cccc(C=O)c12
InChIInChI=1S/C13H12O2/c1-15-9-12-7-3-5-10-4-2-6-11(8-14)13(10)12/h2-8H,9H2,1H3
InChIKeyGHJTUEWXGAOWCA-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.80
Rot. Bonds3

About 8-(methoxymethyl)naphthalene-1-carbaldehyde

8-(methoxymethyl)naphthalene-1-carbaldehyde (PubChem CID 22022215) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 8-(methoxymethyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name8-(methoxymethyl)naphthalene-1-carbaldehyde
PubChem CID22022215
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name8-(methoxymethyl)naphthalene-1-carbaldehyde
SMILESCOCc1cccc2cccc(C=O)c12
InChIInChI=1S/C13H12O2/c1-15-9-12-7-3-5-10-4-2-6-11(8-14)13(10)12/h2-8H,9H2,1H3
InChIKeyGHJTUEWXGAOWCA-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.80
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 8-(methoxymethyl)naphthalene-1-carbaldehyde?
The IUPAC name of 8-(methoxymethyl)naphthalene-1-carbaldehyde (CID 22022215) is 8-(methoxymethyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 8-(methoxymethyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 8-(methoxymethyl)naphthalene-1-carbaldehyde is COCc1cccc2cccc(C=O)c12.
What is the InChIKey of 8-(methoxymethyl)naphthalene-1-carbaldehyde?
The InChIKey is GHJTUEWXGAOWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-15-9-12-7-3-5-10-4-2-6-11(8-14)13(10)12/h2-8H,9H2,1H3.
What are the key properties of 8-(methoxymethyl)naphthalene-1-carbaldehyde?
8-(methoxymethyl)naphthalene-1-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 22022215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).