2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde

C11H11ClO — CID 105448650

IUPAC2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
SMILESO=CCC1CCc2c(Cl)cccc21
InChIInChI=1S/C11H11ClO/c12-11-3-1-2-9-8(6-7-13)4-5-10(9)11/h1-3,7-8H,4-6H2
InChIKeyCOZPCWJKMJHCHN-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde

2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde (PubChem CID 105448650) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
PubChem CID105448650
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
SMILESO=CCC1CCc2c(Cl)cccc21
InChIInChI=1S/C11H11ClO/c12-11-3-1-2-9-8(6-7-13)4-5-10(9)11/h1-3,7-8H,4-6H2
InChIKeyCOZPCWJKMJHCHN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetaldehyde
CID 54021692
4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde
CID 175292583
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546957
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde
CID 105448649
2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105435841
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol
CID 173127017
2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112711575
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde
CID 166794843
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746685

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde (CID 105448650) is 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde is O=CCC1CCc2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
The InChIKey is COZPCWJKMJHCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-11-3-1-2-9-8(6-7-13)4-5-10(9)11/h1-3,7-8H,4-6H2.
What are the key properties of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde?
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde has a molecular weight of 194.66 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde is sourced from PubChem (CID 105448650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).