1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one

C13H15BrO2 — CID 117454974

IUPAC1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESCOc1c(CC(C)=O)cc2c(c1Br)CCC2
InChIInChI=1S/C13H15BrO2/c1-8(15)6-10-7-9-4-3-5-11(9)12(14)13(10)16-2/h7H,3-6H2,1-2H3
InChIKeyAYEASRYHEGKFDO-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.08
Rot. Bonds3

About 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one

1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one (PubChem CID 117454974) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one
PubChem CID117454974
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESCOc1c(CC(C)=O)cc2c(c1Br)CCC2
InChIInChI=1S/C13H15BrO2/c1-8(15)6-10-7-9-4-3-5-11(9)12(14)13(10)16-2/h7H,3-6H2,1-2H3
InChIKeyAYEASRYHEGKFDO-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanal
CID 117496048
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 117457103
O-[2-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethyl]hydroxylamine
CID 117499820
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117481875
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
CID 117495196
4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
CID 84712946
7-bromo-6-methoxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 117383062
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)propan-2-one
CID 117462772
2-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-oxoacetic acid
CID 117498092
1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84715361
[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117495126

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one?
The IUPAC name of 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one (CID 117454974) is 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one.
What is the SMILES notation for 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one?
The canonical SMILES for 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one is COc1c(CC(C)=O)cc2c(c1Br)CCC2.
What is the InChIKey of 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one?
The InChIKey is AYEASRYHEGKFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-8(15)6-10-7-9-4-3-5-11(9)12(14)13(10)16-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one?
1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one has a molecular weight of 283.16 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one is sourced from PubChem (CID 117454974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).