1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde

C12H14O2 — CID 105444249

IUPAC1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde
SMILESCOC1(C=O)CCc2cc(C)ccc21
InChIInChI=1S/C12H14O2/c1-9-3-4-11-10(7-9)5-6-12(11,8-13)14-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIZONZGMJMDNQKD-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.98
Rot. Bonds2

About 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde

1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde (PubChem CID 105444249) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde
PubChem CID105444249
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde
SMILESCOC1(C=O)CCc2cc(C)ccc21
InChIInChI=1S/C12H14O2/c1-9-3-4-11-10(7-9)5-6-12(11,8-13)14-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIZONZGMJMDNQKD-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.98
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 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde (CID 105444249) is 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde is COC1(C=O)CCc2cc(C)ccc21.
What is the InChIKey of 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is IZONZGMJMDNQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-3-4-11-10(7-9)5-6-12(11,8-13)14-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde?
1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 190.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 105444249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).