methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C12H13BrO3 — CID 71302068

IUPACmethyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2c(c1Br)CCCC2
InChIInChI=1S/C12H13BrO3/c1-16-12(15)9-6-10(14)7-4-2-3-5-8(7)11(9)13/h6,14H,2-5H2,1H3
InChIKeyGPBUOGKTUHSZDN-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.82
Rot. Bonds1

About methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 71302068) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID71302068
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Namemethyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2c(c1Br)CCCC2
InChIInChI=1S/C12H13BrO3/c1-16-12(15)9-6-10(14)7-4-2-3-5-8(7)11(9)13/h6,14H,2-5H2,1H3
InChIKeyGPBUOGKTUHSZDN-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-3-hydroxy-5-methylbenzoate
CID 86112744
dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate
CID 10539657
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569
methyl 5-bromo-4-hydroxy-2-methylbenzoate
CID 131384435
methyl 4-bromo-2-hydroxy-5-methylbenzoate
CID 66611909
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
ethane;methyl 2-bromo-4-hydroxy-5-methylbenzoate
CID 176920388
methyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 66545209
methyl 2,6-dibromo-3,5-dihydroxybenzoate
CID 2748027
methyl 2-bromo-4-methoxy-3,5-dimethylbenzoate
CID 57495652
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999

Frequently Asked Questions

What is the IUPAC name of methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 71302068) is methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1cc(O)c2c(c1Br)CCCC2.
What is the InChIKey of methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is GPBUOGKTUHSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-16-12(15)9-6-10(14)7-4-2-3-5-8(7)11(9)13/h6,14H,2-5H2,1H3.
What are the key properties of methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 285.14 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 71302068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).