7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde

C13H16O2 — CID 87884769

IUPAC7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESCCCOc1cccc2c1C(C=O)CC2
InChIInChI=1S/C13H16O2/c1-2-8-15-12-5-3-4-10-6-7-11(9-14)13(10)12/h3-5,9,11H,2,6-8H2,1H3
InChIKeyCKBNJFISPNLPEO-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.70
Rot. Bonds4

About 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde

7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde (PubChem CID 87884769) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde.

Molecular Properties

Compound Name7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde
PubChem CID87884769
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESCCCOc1cccc2c1C(C=O)CC2
InChIInChI=1S/C13H16O2/c1-2-8-15-12-5-3-4-10-6-7-11(9-14)13(10)12/h3-5,9,11H,2,6-8H2,1H3
InChIKeyCKBNJFISPNLPEO-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.70
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-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde?
The IUPAC name of 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde (CID 87884769) is 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde.
What is the SMILES notation for 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde?
The canonical SMILES for 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde is CCCOc1cccc2c1C(C=O)CC2.
What is the InChIKey of 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde?
The InChIKey is CKBNJFISPNLPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-8-15-12-5-3-4-10-6-7-11(9-14)13(10)12/h3-5,9,11H,2,6-8H2,1H3.
What are the key properties of 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde?
7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde is sourced from PubChem (CID 87884769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).