carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde

C11H11ClO4 — CID 88782894

IUPACcarbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESO=C(O)O.O=Cc1cc2c(cc1Cl)CCC2
InChIInChI=1S/C10H9ClO.CH2O3/c11-10-5-8-3-1-2-7(8)4-9(10)6-12;2-1(3)4/h4-6H,1-3H2;(H2,2,3,4)
InChIKeyLPVSTLUFJRJQPL-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.86
Rot. Bonds1

About carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde

carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde (PubChem CID 88782894) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde.

Molecular Properties

Compound Namecarbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde
PubChem CID88782894
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Namecarbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESO=C(O)O.O=Cc1cc2c(cc1Cl)CCC2
InChIInChI=1S/C10H9ClO.CH2O3/c11-10-5-8-3-1-2-7(8)4-9(10)6-12;2-1(3)4/h4-6H,1-3H2;(H2,2,3,4)
InChIKeyLPVSTLUFJRJQPL-UHFFFAOYSA-N
XLogP2.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2,3-dihydro-1H-indene-4-carbaldehyde
CID 117278515
5-chloro-6-fluoro-2,3-dihydro-1H-indene-4-carbaldehyde
CID 171787703
6-chloro-5-fluoro-2,3-dihydro-1H-indene-4-carbaldehyde
CID 171787774
5-Chloro-3-fluoro-2,4-dimethylbenzaldehyde
CID 84732822
2-Chloro-5-(trifluoromethyl)terephthalaldehyde
CID 171007094
4-Chloro-6-(trifluoromethyl)benzene-1,3-dicarbaldehyde
CID 171007332
2-Chloro-5-(difluoromethyl)terephthalaldehyde
CID 171007611
4-Chloro-6-(difluoromethyl)benzene-1,3-dicarbaldehyde
CID 171007851
4-Chloro-6-methylbenzene-1,3-dicarbaldehyde
CID 3839344
4-Chloro-6-methyl-2,3-dihydro-1H-inden-1-one
CID 11019473
2-Chloro-4,6-dimethylbenzaldehyde
CID 13827184
3-Chloro-2,4,6-trimethylbenzaldehyde
CID 13827186

Frequently Asked Questions

What is the IUPAC name of carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde?
The IUPAC name of carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde (CID 88782894) is carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde.
What is the SMILES notation for carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde?
The canonical SMILES for carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde is O=C(O)O.O=Cc1cc2c(cc1Cl)CCC2.
What is the InChIKey of carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde?
The InChIKey is LPVSTLUFJRJQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO.CH2O3/c11-10-5-8-3-1-2-7(8)4-9(10)6-12;2-1(3)4/h4-6H,1-3H2;(H2,2,3,4).
What are the key properties of carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde?
carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde has a molecular weight of 242.66 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde is sourced from PubChem (CID 88782894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).