5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid

C10H8Cl2O2 — CID 22902102

IUPAC5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H8Cl2O2/c11-8-3-5-1-2-6(10(13)14)7(5)4-9(8)12/h3-4,6H,1-2H2,(H,13,14)
InChIKeyYWDAXQBLNOXDPZ-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.11
Rot. Bonds1

About 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid

5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 22902102) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID22902102
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H8Cl2O2/c11-8-3-5-1-2-6(10(13)14)7(5)4-9(8)12/h3-4,6H,1-2H2,(H,13,14)
InChIKeyYWDAXQBLNOXDPZ-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 82027298
(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 129391781
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
5,7-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71239467
5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544
6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71174188
6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide
CID 54463297
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
6-methylsulfonyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 70832765
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid (CID 22902102) is 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)C1CCc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is YWDAXQBLNOXDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c11-8-3-5-1-2-6(10(13)14)7(5)4-9(8)12/h3-4,6H,1-2H2,(H,13,14).
What are the key properties of 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid?
5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 231.08 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 22902102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).