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

C13H16O3 — CID 101478678

IUPACmethyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1c(O)ccc2c1CCCC2C
InChIInChI=1S/C13H16O3/c1-8-4-3-5-10-9(8)6-7-11(14)12(10)13(15)16-2/h6-8,14H,3-5H2,1-2H3
InChIKeySEKGKHOXBJPSCL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.62
Rot. Bonds1

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

methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 101478678) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID101478678
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1c(O)ccc2c1CCCC2C
InChIInChI=1S/C13H16O3/c1-8-4-3-5-10-9(8)6-7-11(14)12(10)13(15)16-2/h6-8,14H,3-5H2,1-2H3
InChIKeySEKGKHOXBJPSCL-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 101478678) is methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate is COC(=O)c1c(O)ccc2c1CCCC2C.
What is the InChIKey of methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is SEKGKHOXBJPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-4-3-5-10-9(8)6-7-11(14)12(10)13(15)16-2/h6-8,14H,3-5H2,1-2H3.
What are the key properties of methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 101478678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).