methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate

C11H11BrO2 — CID 125427256

IUPACmethyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1Br)CCC2
InChIInChI=1S/C11H11BrO2/c1-14-11(13)9-5-7-3-2-4-8(7)6-10(9)12/h5-6H,2-4H2,1H3
InChIKeyVNKKECNIGLUTQG-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.72
Rot. Bonds1

About methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate

methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 125427256) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID125427256
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Namemethyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1Br)CCC2
InChIInChI=1S/C11H11BrO2/c1-14-11(13)9-5-7-3-2-4-8(7)6-10(9)12/h5-6H,2-4H2,1H3
InChIKeyVNKKECNIGLUTQG-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
CID 132566202
methyl 6-bromo-3H-isoindole-5-carboxylate
CID 157118255
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59003158
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999
methyl 3-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
CID 54181784
ethane;methyl 2-bromo-4-hydroxy-5-methylbenzoate
CID 176920388
methyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 66545209
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 83988295
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate (CID 125427256) is methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1cc2c(cc1Br)CCC2.
What is the InChIKey of methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is VNKKECNIGLUTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-14-11(13)9-5-7-3-2-4-8(7)6-10(9)12/h5-6H,2-4H2,1H3.
What are the key properties of methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate?
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 255.11 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 125427256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).