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

C10H9ClO — CID 175292583

IUPAC4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESO=CC1CCc2c(Cl)cccc21
InChIInChI=1S/C10H9ClO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,6-7H,4-5H2
InChIKeySAPOJDCTCCLYQZ-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.57
Rot. Bonds1

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

4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde (PubChem CID 175292583) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde
PubChem CID175292583
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESO=CC1CCc2c(Cl)cccc21
InChIInChI=1S/C10H9ClO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,6-7H,4-5H2
InChIKeySAPOJDCTCCLYQZ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105448650
5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 174491506
(5S)-5-formyl-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 124584420
5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 164523445
(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 129390000
5-isocyano-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 123919629
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol
CID 173127017
(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde
CID 129385877
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112716447
2-(5-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetaldehyde
CID 54021692

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde?
The IUPAC name of 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde (CID 175292583) is 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde.
What is the SMILES notation for 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde?
The canonical SMILES for 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde is O=CC1CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde?
The InChIKey is SAPOJDCTCCLYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,6-7H,4-5H2.
What are the key properties of 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde?
4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde has a molecular weight of 180.63 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde is sourced from PubChem (CID 175292583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).