8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde

C13H14O2 — CID 115057497

IUPAC8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1cccc2c1C(C)=C(C=O)CC2
InChIInChI=1S/C13H14O2/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5,8H,6-7H2,1-2H3
InChIKeyBGZXYNNPZDDUJL-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.61
Rot. Bonds2

About 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde

8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 115057497) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID115057497
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1cccc2c1C(C)=C(C=O)CC2
InChIInChI=1S/C13H14O2/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5,8H,6-7H2,1-2H3
InChIKeyBGZXYNNPZDDUJL-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.61
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-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde (CID 115057497) is 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde is COc1cccc2c1C(C)=C(C=O)CC2.
What is the InChIKey of 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is BGZXYNNPZDDUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde?
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 115057497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).