2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid

C17H18Cl2O3 — CID 12540263

IUPAC2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid
SMILESCC1(C2CCCC2)Cc2cc(CC(=O)O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C17H18Cl2O3/c1-17(11-4-2-3-5-11)8-10-6-9(7-12(20)21)14(18)15(19)13(10)16(17)22/h6,11H,2-5,7-8H2,1H3,(H,20,21)
InChIKeyCVWAHFRXUCCZQB-UHFFFAOYSA-N
MW341.23 g/mol
LogP4.56
Rot. Bonds3

About 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid

2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid (PubChem CID 12540263) has the molecular formula C17H18Cl2O3 and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid
PubChem CID12540263
Molecular FormulaC17H18Cl2O3
Molecular Weight341.23 g/mol
Exact Mass340.06
IUPAC Name2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid
SMILESCC1(C2CCCC2)Cc2cc(CC(=O)O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C17H18Cl2O3/c1-17(11-4-2-3-5-11)8-10-6-9(7-12(20)21)14(18)15(19)13(10)16(17)22/h6,11H,2-5,7-8H2,1H3,(H,20,21)
InChIKeyCVWAHFRXUCCZQB-UHFFFAOYSA-N
XLogP4.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 129289
4-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)-4-oxobutanoic acid
CID 90862362
4-(2-Butyl-6,7-dichloro-2-cyclopentyl-indan-1-on-5-yl) oxobutyric acid
CID 129653400
2-[6,7-dichloro-2-(4-fluorophenyl)-2-methyl-1-oxo-3H-inden-5-yl]acetic acid
CID 20294067
4-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)-4-hydroxybutanoic acid
CID 90775773
3-[(2S)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl]propanoic acid
CID 134835785
6-chloro-5-cyclopentyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 12397767
Diethyl (2-cyclopentyl-6,7-dichloro-1-oxo-2-methyl-5-indanyl)malonate
CID 12540260
(6,7-Dichloro-1-oxo-2-methyl-2-phenyl-5-indanyl)acetic acid
CID 12540266
methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate
CID 13030806
(6,7-dichloro-2-cyclopentylmethyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)acetic acid
CID 13646818
(+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)acetyl chloride
CID 13753999

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid?
The IUPAC name of 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid (CID 12540263) is 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid?
The canonical SMILES for 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid is CC1(C2CCCC2)Cc2cc(CC(=O)O)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid?
The InChIKey is CVWAHFRXUCCZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O3/c1-17(11-4-2-3-5-11)8-10-6-9(7-12(20)21)14(18)15(19)13(10)16(17)22/h6,11H,2-5,7-8H2,1H3,(H,20,21).
What are the key properties of 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid?
2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid has a molecular weight of 341.23 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid is sourced from PubChem (CID 12540263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).