7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde

C13H16O2 — CID 135060366

IUPAC7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
SMILESCOc1ccc(C=O)c2c1CCC2(C)C
InChIInChI=1S/C13H16O2/c1-13(2)7-6-10-11(15-3)5-4-9(8-14)12(10)13/h4-5,8H,6-7H2,1-3H3
InChIKeyHBEKELYLZCYOSM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.73
Rot. Bonds2

About 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde

7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde (PubChem CID 135060366) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
PubChem CID135060366
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
SMILESCOc1ccc(C=O)c2c1CCC2(C)C
InChIInChI=1S/C13H16O2/c1-13(2)7-6-10-11(15-3)5-4-9(8-14)12(10)13/h4-5,8H,6-7H2,1-3H3
InChIKeyHBEKELYLZCYOSM-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.73
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 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde?
The IUPAC name of 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde (CID 135060366) is 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde.
What is the SMILES notation for 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde?
The canonical SMILES for 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde is COc1ccc(C=O)c2c1CCC2(C)C.
What is the InChIKey of 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde?
The InChIKey is HBEKELYLZCYOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2)7-6-10-11(15-3)5-4-9(8-14)12(10)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde?
7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde is sourced from PubChem (CID 135060366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).