5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde

C13H14O3 — CID 13208574

IUPAC5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1ccc(OC)c2c1C=C(C=O)CC2
InChIInChI=1S/C13H14O3/c1-15-12-5-6-13(16-2)11-7-9(8-14)3-4-10(11)12/h5-8H,3-4H2,1-2H3
InChIKeyTZFRHNWIPYFRPE-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.23
Rot. Bonds3

About 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde

5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 13208574) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID13208574
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1ccc(OC)c2c1C=C(C=O)CC2
InChIInChI=1S/C13H14O3/c1-15-12-5-6-13(16-2)11-7-9(8-14)3-4-10(11)12/h5-8H,3-4H2,1-2H3
InChIKeyTZFRHNWIPYFRPE-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde
CID 163784821
4,9-dimethoxy-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carbaldehyde
CID 12558255
2-buta-1,2-dienyl-4,7-dimethoxy-1H-indene
CID 132578741
7-methoxy-1H-indene-2-carbaldehyde
CID 13441475
5,8-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
CID 117055381
7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
CID 135060366
4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 135008237
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
CID 117311204
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
7-iodo-4-methoxy-2,3-dihydroinden-1-one
CID 12969786
7-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 53486405

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde (CID 13208574) is 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde is COc1ccc(OC)c2c1C=C(C=O)CC2.
What is the InChIKey of 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is TZFRHNWIPYFRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-15-12-5-6-13(16-2)11-7-9(8-14)3-4-10(11)12/h5-8H,3-4H2,1-2H3.
What are the key properties of 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 218.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 13208574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).