methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C12H14O3 — CID 12018648

IUPACmethyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2cc(O)ccc21
InChIInChI=1S/C12H14O3/c1-15-12(14)11-4-2-3-8-7-9(13)5-6-10(8)11/h5-7,11,13H,2-4H2,1H3
InChIKeyUFVAZTACFIYTDQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.99
Rot. Bonds1

About methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 12018648) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID12018648
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2cc(O)ccc21
InChIInChI=1S/C12H14O3/c1-15-12(14)11-4-2-3-8-7-9(13)5-6-10(8)11/h5-7,11,13H,2-4H2,1H3
InChIKeyUFVAZTACFIYTDQ-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 12018648) is methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is COC(=O)C1CCCc2cc(O)ccc21.
What is the InChIKey of methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is UFVAZTACFIYTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(14)11-4-2-3-8-7-9(13)5-6-10(8)11/h5-7,11,13H,2-4H2,1H3.
What are the key properties of methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 12018648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).