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

C18H20Cl2O3 — CID 13030806

IUPACmethyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate
SMILESCOC(=O)Cc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C1CCCC1)C2
InChIInChI=1S/C18H20Cl2O3/c1-18(12-5-3-4-6-12)9-11-7-10(8-13(21)23-2)15(19)16(20)14(11)17(18)22/h7,12H,3-6,8-9H2,1-2H3
InChIKeyQIOSTHIIXHNPDA-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.64
Rot. Bonds3

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

methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate (PubChem CID 13030806) has the molecular formula C18H20Cl2O3 and a molecular weight of 355.26 g/mol. Its IUPAC name is methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate
PubChem CID13030806
Molecular FormulaC18H20Cl2O3
Molecular Weight355.26 g/mol
Exact Mass354.08
IUPAC Namemethyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate
SMILESCOC(=O)Cc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C1CCCC1)C2
InChIInChI=1S/C18H20Cl2O3/c1-18(12-5-3-4-6-12)9-11-7-10(8-13(21)23-2)15(19)16(20)14(11)17(18)22/h7,12H,3-6,8-9H2,1-2H3
InChIKeyQIOSTHIIXHNPDA-UHFFFAOYSA-N
XLogP4.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate with MolForge

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Related Compounds

sodium;3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]propane-1-sulfonic acid;hydride
CID 173401593
7,8-dichloro-2-cyclopentyl-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 21483888
4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxymethyl]pyrrolidine-2,3,5-trione
CID 54325978
1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70454293
2-chloro-5-[3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxymethyl]phenyl]benzoic acid
CID 11649618
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138
4-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)-4-hydroxybutanoic acid
CID 90775773
(4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
CID 125463470
N-[6,7-dichloro-2-cyclopentyl-2-methyl-5-(2H-tetrazol-5-ylmethoxy)-3H-inden-1-ylidene]hydroxylamine
CID 88839053
methyl 2-(4-chloro-2-cyclopropylphenyl)acetate
CID 174254257
methyl 2-[3-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171013835
3-(6,7-dichloro-2-cyclopentyl-1-oxo-2-propan-2-yl-3H-inden-5-yl)-4-hydroxypyrrole-2,5-dione
CID 70494643

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate?
The IUPAC name of methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate (CID 13030806) is methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate.
What is the SMILES notation for methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate?
The canonical SMILES for methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate is COC(=O)Cc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C1CCCC1)C2.
What is the InChIKey of methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate?
The InChIKey is QIOSTHIIXHNPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O3/c1-18(12-5-3-4-6-12)9-11-7-10(8-13(21)23-2)15(19)16(20)14(11)17(18)22/h7,12H,3-6,8-9H2,1-2H3.
What are the key properties of methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate?
methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate has a molecular weight of 355.26 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetate is sourced from PubChem (CID 13030806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).