1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone

C12H13ClO2 — CID 84689437

IUPAC1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCOc1c(C(C)=O)cc2c(c1Cl)CCC2
InChIInChI=1S/C12H13ClO2/c1-7(14)10-6-8-4-3-5-9(8)11(13)12(10)15-2/h6H,3-5H2,1-2H3
InChIKeyAPGOHMBEYRYUHL-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.04
Rot. Bonds2

About 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone

1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 84689437) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID84689437
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCOc1c(C(C)=O)cc2c(c1Cl)CCC2
InChIInChI=1S/C12H13ClO2/c1-7(14)10-6-8-4-3-5-9(8)11(13)12(10)15-2/h6H,3-5H2,1-2H3
InChIKeyAPGOHMBEYRYUHL-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
2-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117390078
6-chloro-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid
CID 171787802
N-[(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]hydroxylamine
CID 117327723
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanoic acid
CID 117454483
methyl 3-chloro-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
CID 171787690
2-amino-3-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117456121
4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 117343961
2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-oxoacetic acid
CID 117425129
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine
CID 117449191
6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid
CID 84675013

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone (CID 84689437) is 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone is COc1c(C(C)=O)cc2c(c1Cl)CCC2.
What is the InChIKey of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is APGOHMBEYRYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-7(14)10-6-8-4-3-5-9(8)11(13)12(10)15-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone?
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 224.69 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 84689437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).