7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde

C10H9ClO — CID 165477941

IUPAC7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESO=Cc1ccc(Cl)c2c1CCC2
InChIInChI=1S/C10H9ClO/c11-10-5-4-7(6-12)8-2-1-3-9(8)10/h4-6H,1-3H2
InChIKeyDTBGAXYXOZYFBS-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.64
Rot. Bonds1

About 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde

7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde (PubChem CID 165477941) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde
PubChem CID165477941
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde
SMILESO=Cc1ccc(Cl)c2c1CCC2
InChIInChI=1S/C10H9ClO/c11-10-5-4-7(6-12)8-2-1-3-9(8)10/h4-6H,1-3H2
InChIKeyDTBGAXYXOZYFBS-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-2,3-dihydro-1H-indene-4-carbaldehyde?
The IUPAC name of 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde (CID 165477941) is 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde.
What is the SMILES notation for 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde?
The canonical SMILES for 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde is O=Cc1ccc(Cl)c2c1CCC2.
What is the InChIKey of 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde?
The InChIKey is DTBGAXYXOZYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c11-10-5-4-7(6-12)8-2-1-3-9(8)10/h4-6H,1-3H2.
What are the key properties of 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde?
7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde has a molecular weight of 180.63 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1H-indene-4-carbaldehyde is sourced from PubChem (CID 165477941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).