1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde

C11H11ClO — CID 130640609

IUPAC1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(CCl)CCc2ccccc21
InChIInChI=1S/C11H11ClO/c12-7-11(8-13)6-5-9-3-1-2-4-10(9)11/h1-4,8H,5-7H2
InChIKeyUUFLXWDBDSKLQS-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.31
Rot. Bonds2

About 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde

1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde (PubChem CID 130640609) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde
PubChem CID130640609
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(CCl)CCc2ccccc21
InChIInChI=1S/C11H11ClO/c12-7-11(8-13)6-5-9-3-1-2-4-10(9)11/h1-4,8H,5-7H2
InChIKeyUUFLXWDBDSKLQS-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde (CID 130640609) is 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde is O=CC1(CCl)CCc2ccccc21.
What is the InChIKey of 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is UUFLXWDBDSKLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-7-11(8-13)6-5-9-3-1-2-4-10(9)11/h1-4,8H,5-7H2.
What are the key properties of 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde?
1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 194.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 130640609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).