methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate

C12H13BrO2 — CID 131278593

IUPACmethyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1CCc2c(Br)cccc21
InChIInChI=1S/C12H13BrO2/c1-15-12(14)7-8-5-6-10-9(8)3-2-4-11(10)13/h2-4,8H,5-7H2,1H3
InChIKeyUCCBDJPYTCBSBT-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate

methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 131278593) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID131278593
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Namemethyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1CCc2c(Br)cccc21
InChIInChI=1S/C12H13BrO2/c1-15-12(14)7-8-5-6-10-9(8)3-2-4-11(10)13/h2-4,8H,5-7H2,1H3
InChIKeyUCCBDJPYTCBSBT-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 ≤ 500269.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 91016597
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
methyl 2-[6-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 67812846
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
CID 115050329
methyl 2-[(1R)-5-(methanethioylamino)-4-methyl-2,3-dihydro-1H-inden-1-yl]acetate
CID 141116473
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
ethyl 2-[4-bromo-5-(methylamino)-2,3-dihydro-1H-inden-1-yl]acetate
CID 68856826
4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 70612738
tert-butyl 3-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 167365314
1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105458629

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate (CID 131278593) is methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate is COC(=O)CC1CCc2c(Br)cccc21.
What is the InChIKey of methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is UCCBDJPYTCBSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-15-12(14)7-8-5-6-10-9(8)3-2-4-11(10)13/h2-4,8H,5-7H2,1H3.
What are the key properties of methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate?
methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 269.14 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 methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 131278593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).