7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde

C12H12O2 — CID 123605434

IUPAC7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde
SMILESCOC1=CC2C(C=O)=CC=CC2C=C1
InChIInChI=1S/C12H12O2/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-9,12H,1H3
InChIKeyZQWCOKXHMNJYHS-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.01
Rot. Bonds2

About 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde

7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde (PubChem CID 123605434) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde
PubChem CID123605434
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde
SMILESCOC1=CC2C(C=O)=CC=CC2C=C1
InChIInChI=1S/C12H12O2/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-9,12H,1H3
InChIKeyZQWCOKXHMNJYHS-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.01
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 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde?
The IUPAC name of 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde (CID 123605434) is 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde?
The canonical SMILES for 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde is COC1=CC2C(C=O)=CC=CC2C=C1.
What is the InChIKey of 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde?
The InChIKey is ZQWCOKXHMNJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-9,12H,1H3.
What are the key properties of 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde?
7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4a,8a-dihydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 123605434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).