2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid

C11H10Cl2O2 — CID 123427549

IUPAC2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl2O2/c12-9-3-6-1-2-7(4-11(14)15)8(6)5-10(9)13/h3,5,7H,1-2,4H2,(H,14,15)
InChIKeyCHEUEGCXWFTNLJ-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.50
Rot. Bonds2

About 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid

2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid (PubChem CID 123427549) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
PubChem CID123427549
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl2O2/c12-9-3-6-1-2-7(4-11(14)15)8(6)5-10(9)13/h3,5,7H,1-2,4H2,(H,14,15)
InChIKeyCHEUEGCXWFTNLJ-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 22902102
2-(5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl)acetic acid
CID 83906666
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 105474204
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 82027298
2-[(1S)-5-(4-carbamoyl-2-chlorophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985556
2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167714702
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid
CID 83907980

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid (CID 123427549) is 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid is O=C(O)CC1CCc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid?
The InChIKey is CHEUEGCXWFTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c12-9-3-6-1-2-7(4-11(14)15)8(6)5-10(9)13/h3,5,7H,1-2,4H2,(H,14,15).
What are the key properties of 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid?
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid has a molecular weight of 245.10 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 123427549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).