7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde

C11H10O3 — CID 84618834

IUPAC7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
SMILESCOc1cccc2c1CC(C=O)C2=O
InChIInChI=1S/C11H10O3/c1-14-10-4-2-3-8-9(10)5-7(6-12)11(8)13/h2-4,6-7H,5H2,1H3
InChIKeyRYTITGKEBHJIGL-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds2

About 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde

7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde (PubChem CID 84618834) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
PubChem CID84618834
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
SMILESCOc1cccc2c1CC(C=O)C2=O
InChIInChI=1S/C11H10O3/c1-14-10-4-2-3-8-9(10)5-7(6-12)11(8)13/h2-4,6-7H,5H2,1H3
InChIKeyRYTITGKEBHJIGL-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.25
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-(7-methoxy-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 10632007
2-bromo-4-methoxy-2,3-dihydroinden-1-one
CID 82024143
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
2-bromo-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 18941101
4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
CID 84637843
2-(5-methoxy-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)acetic acid
CID 84628079
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581
9-methoxy-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82886840
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
5-methoxy-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 175226392
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
The IUPAC name of 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde (CID 84618834) is 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
The canonical SMILES for 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde is COc1cccc2c1CC(C=O)C2=O.
What is the InChIKey of 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
The InChIKey is RYTITGKEBHJIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-10-4-2-3-8-9(10)5-7(6-12)11(8)13/h2-4,6-7H,5H2,1H3.
What are the key properties of 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde is sourced from PubChem (CID 84618834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).