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

C12H14O2 — CID 11701169

IUPACmethyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2ccccc21
InChIInChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyGBNNKNLJHYPKIG-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.28
Rot. Bonds1

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

methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 11701169) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID11701169
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namemethyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2ccccc21
InChIInChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyGBNNKNLJHYPKIG-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 11701169) is methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate is COC(=O)C1CCCc2ccccc21.
What is the InChIKey of methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is GBNNKNLJHYPKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3.
What are the key properties of methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate?
methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 190.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 11701169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).