1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde

C11H12O2 — CID 88980430

IUPAC1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESCOC1CCc2c(C=O)cccc21
InChIInChI=1S/C11H12O2/c1-13-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3
InChIKeyDEOGSIICGKQTJN-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.13
Rot. Bonds2

About 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde

1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde (PubChem CID 88980430) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde.

Molecular Properties

Compound Name1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde
PubChem CID88980430
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESCOC1CCc2c(C=O)cccc21
InChIInChI=1S/C11H12O2/c1-13-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3
InChIKeyDEOGSIICGKQTJN-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-Formyl-3-methoxy-5-methylindanone
CID 11820228
2-(Methoxymethyl)benzaldehyde
CID 12245622
Methyl 1-oxo-2,3-dihydro-1H-indene-4-carboxylate
CID 10012730
methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate
CID 10375253
1,3-Dihydro-2-benzofuran-5-carbaldehyde
CID 11389470
Methyl 4-formyl-2-methylbenzoate
CID 20134203
caulerpal B
CID 11983297
Methyl 9-oxo-9h-fluorene-4-carboxylate
CID 272047
1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester
CID 116991
4-methyl-1-oxo-3H-2-benzofuran-5-carbaldehyde
CID 118174393
3-(Methoxymethyl)benzaldehyde
CID 12245623
1-(1,3-Dihydro-2-benzofuran-5-yl)ethan-1-one
CID 15834337

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde?
The IUPAC name of 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde (CID 88980430) is 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde.
What is the SMILES notation for 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde?
The canonical SMILES for 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde is COC1CCc2c(C=O)cccc21.
What is the InChIKey of 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde?
The InChIKey is DEOGSIICGKQTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-13-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde?
1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde is sourced from PubChem (CID 88980430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).