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

C12H14O3 — CID 20824477

IUPACmethyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCC2O
InChIInChI=1S/C12H14O3/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h5-7,11,13H,2-4H2,1H3
InChIKeyJHHRDBVCXBENEC-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds1

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

methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 20824477) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID20824477
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCC2O
InChIInChI=1S/C12H14O3/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h5-7,11,13H,2-4H2,1H3
InChIKeyJHHRDBVCXBENEC-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 20824477) is methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)CCCC2O.
What is the InChIKey of methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is JHHRDBVCXBENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h5-7,11,13H,2-4H2,1H3.
What are the key properties of methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 20824477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).