3-ethoxynaphthalene-2-carbaldehyde

C13H12O2 — CID 131351894

IUPAC3-ethoxynaphthalene-2-carbaldehyde
SMILESCCOc1cc2ccccc2cc1C=O
InChIInChI=1S/C13H12O2/c1-2-15-13-8-11-6-4-3-5-10(11)7-12(13)9-14/h3-9H,2H2,1H3
InChIKeyVIOHDOLLGYRECN-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.05
Rot. Bonds3

About 3-ethoxynaphthalene-2-carbaldehyde

3-ethoxynaphthalene-2-carbaldehyde (PubChem CID 131351894) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-ethoxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-ethoxynaphthalene-2-carbaldehyde
PubChem CID131351894
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-ethoxynaphthalene-2-carbaldehyde
SMILESCCOc1cc2ccccc2cc1C=O
InChIInChI=1S/C13H12O2/c1-2-15-13-8-11-6-4-3-5-10(11)7-12(13)9-14/h3-9H,2H2,1H3
InChIKeyVIOHDOLLGYRECN-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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-ethoxybenzaldehyde;hydrofluoride
CID 157329385
3-ethoxyquinoline-2-carbaldehyde
CID 177169665
6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 135381089
4-(1-benzothiophen-2-yl)-2-ethoxybenzaldehyde
CID 172649921
2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
sodium 2-ethoxy-6-formylphenolate
CID 102504150
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
2-ethoxy-4-fluoro-5-iodobenzaldehyde
CID 131313075
3-ethoxy-4-formylbenzoic acid
CID 21100742
2-(2-ethoxyphenyl)-5-methylbenzaldehyde
CID 172649130

Frequently Asked Questions

What is the IUPAC name of 3-ethoxynaphthalene-2-carbaldehyde?
The IUPAC name of 3-ethoxynaphthalene-2-carbaldehyde (CID 131351894) is 3-ethoxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-ethoxynaphthalene-2-carbaldehyde?
The canonical SMILES for 3-ethoxynaphthalene-2-carbaldehyde is CCOc1cc2ccccc2cc1C=O.
What is the InChIKey of 3-ethoxynaphthalene-2-carbaldehyde?
The InChIKey is VIOHDOLLGYRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-15-13-8-11-6-4-3-5-10(11)7-12(13)9-14/h3-9H,2H2,1H3.
What are the key properties of 3-ethoxynaphthalene-2-carbaldehyde?
3-ethoxynaphthalene-2-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 131351894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).