7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde

C12H12O3 — CID 18918770

IUPAC7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C(=O)C(C=O)CC2
InChIInChI=1S/C12H12O3/c1-15-10-5-4-8-2-3-9(7-13)12(14)11(8)6-10/h4-7,9H,2-3H2,1H3
InChIKeyCTTWVNGSZLDQOF-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.64
Rot. Bonds2

About 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde

7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde (PubChem CID 18918770) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
PubChem CID18918770
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C(=O)C(C=O)CC2
InChIInChI=1S/C12H12O3/c1-15-10-5-4-8-2-3-9(7-13)12(14)11(8)6-10/h4-7,9H,2-3H2,1H3
InChIKeyCTTWVNGSZLDQOF-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
methyl 3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
CID 22989937
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
CID 140970249
3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 2864705
8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one
CID 10799427

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The IUPAC name of 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde (CID 18918770) is 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The canonical SMILES for 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde is COc1ccc2c(c1)C(=O)C(C=O)CC2.
What is the InChIKey of 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The InChIKey is CTTWVNGSZLDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-15-10-5-4-8-2-3-9(7-13)12(14)11(8)6-10/h4-7,9H,2-3H2,1H3.
What are the key properties of 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde has a molecular weight of 204.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 18918770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).