(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde

C11H10O3 — CID 98053581

IUPAC(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C[C@H](C=O)C2=O
InChIInChI=1S/C11H10O3/c1-14-9-2-3-10-7(5-9)4-8(6-12)11(10)13/h2-3,5-6,8H,4H2,1H3/t8-/m1/s1
InChIKeyVIQWDFAWHLYXNF-MRVPVSSYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds2

About (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde

(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde (PubChem CID 98053581) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
PubChem CID98053581
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C[C@H](C=O)C2=O
InChIInChI=1S/C11H10O3/c1-14-9-2-3-10-7(5-9)4-8(6-12)11(10)13/h2-3,5-6,8H,4H2,1H3/t8-/m1/s1
InChIKeyVIQWDFAWHLYXNF-MRVPVSSYSA-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-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
2-acetyl-5-methoxy-2,3-dihydroinden-1-one
CID 121012834
2-but-3-en-2-yl-5-methoxy-2,3-dihydroinden-1-one
CID 154720213
2-(2-chloroacetyl)-5-methoxy-2,3-dihydroinden-1-one
CID 121008324
7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one
CID 134913718
2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one;5-methoxy-2,3-dihydroinden-1-one
CID 158259369
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene
CID 10543706
(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 124560116
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
2,6-dimethoxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)benzonitrile
CID 58586365

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
The IUPAC name of (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde (CID 98053581) is (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde.
What is the SMILES notation for (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
The canonical SMILES for (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde is COc1ccc2c(c1)C[C@H](C=O)C2=O.
What is the InChIKey of (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
The InChIKey is VIQWDFAWHLYXNF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-9-2-3-10-7(5-9)4-8(6-12)11(10)13/h2-3,5-6,8H,4H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde?
(2R)-6-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 (2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde is sourced from PubChem (CID 98053581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).