methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate

C11H11BrO3 — CID 115050456

IUPACmethyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2c(Br)cccc2C1O
InChIInChI=1S/C11H11BrO3/c1-15-11(14)8-5-7-6(10(8)13)3-2-4-9(7)12/h2-4,8,10,13H,5H2,1H3
InChIKeyPBUFRUMQYFUFNO-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.83
Rot. Bonds1

About methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate

methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 115050456) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID115050456
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Namemethyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2c(Br)cccc2C1O
InChIInChI=1S/C11H11BrO3/c1-15-11(14)8-5-7-6(10(8)13)3-2-4-9(7)12/h2-4,8,10,13H,5H2,1H3
InChIKeyPBUFRUMQYFUFNO-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 115024529
methyl 1,5-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 115033200
methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 85264672
ethyl 2-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 131530657
[(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 170305208
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303
methyl (2S)-5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 70230270
trans-methyl (1R,5R)-2-(2-bromophenyl)-5-fluorocyclohexane-1-carboxylate
CID 11493390
(1R,1aR,6aS)-5-bromo-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125449039
dimethyl (4S,9R)-4,5,9,10-tetrahydropyrene-4,9-dicarboxylate
CID 102370718
ethyl (1S,2R)-4-bromo-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indene-2-carboxylate
CID 168771430
methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
CID 131278593

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate (CID 115050456) is methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)C1Cc2c(Br)cccc2C1O.
What is the InChIKey of methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is PBUFRUMQYFUFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-15-11(14)8-5-7-6(10(8)13)3-2-4-9(7)12/h2-4,8,10,13H,5H2,1H3.
What are the key properties of methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 271.11 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 115050456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).