7-ethoxynaphthalene-1-carbaldehyde

C13H12O2 — CID 123261144

IUPAC7-ethoxynaphthalene-1-carbaldehyde
SMILESCCOc1ccc2cccc(C=O)c2c1
InChIInChI=1S/C13H12O2/c1-2-15-12-7-6-10-4-3-5-11(9-14)13(10)8-12/h3-9H,2H2,1H3
InChIKeySHTCKZAPMNNAGV-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.05
Rot. Bonds3

About 7-ethoxynaphthalene-1-carbaldehyde

7-ethoxynaphthalene-1-carbaldehyde (PubChem CID 123261144) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-ethoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-ethoxynaphthalene-1-carbaldehyde
PubChem CID123261144
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name7-ethoxynaphthalene-1-carbaldehyde
SMILESCCOc1ccc2cccc(C=O)c2c1
InChIInChI=1S/C13H12O2/c1-2-15-12-7-6-10-4-3-5-11(9-14)13(10)8-12/h3-9H,2H2,1H3
InChIKeySHTCKZAPMNNAGV-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-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
1,7-diethoxynaphthalene
CID 13359547
7-methylnaphthalene-1-carbaldehyde
CID 15657410
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
2-ethoxynaphthalene
CID 118978197
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
(2-formylnaphthalen-1-yl) 4-ethoxybenzoate
CID 23011341
6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
CID 58518892
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974
5-(6-ethoxynaphthalen-2-yl)-2-hydroxybenzaldehyde
CID 122358652
7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde
CID 765517

Frequently Asked Questions

What is the IUPAC name of 7-ethoxynaphthalene-1-carbaldehyde?
The IUPAC name of 7-ethoxynaphthalene-1-carbaldehyde (CID 123261144) is 7-ethoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 7-ethoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 7-ethoxynaphthalene-1-carbaldehyde is CCOc1ccc2cccc(C=O)c2c1.
What is the InChIKey of 7-ethoxynaphthalene-1-carbaldehyde?
The InChIKey is SHTCKZAPMNNAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-15-12-7-6-10-4-3-5-11(9-14)13(10)8-12/h3-9H,2H2,1H3.
What are the key properties of 7-ethoxynaphthalene-1-carbaldehyde?
7-ethoxynaphthalene-1-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 7-ethoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 123261144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).