methyl 1,2-dihydronaphthalene-1-carboxylate

C12H12O2 — CID 15368519

IUPACmethyl 1,2-dihydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CC=Cc2ccccc21
InChIInChI=1S/C12H12O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-7,11H,8H2,1H3
InChIKeySVGLWBZOYHGXOG-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.36
Rot. Bonds1

About methyl 1,2-dihydronaphthalene-1-carboxylate

methyl 1,2-dihydronaphthalene-1-carboxylate (PubChem CID 15368519) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 1,2-dihydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dihydronaphthalene-1-carboxylate
PubChem CID15368519
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namemethyl 1,2-dihydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CC=Cc2ccccc21
InChIInChI=1S/C12H12O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-7,11H,8H2,1H3
InChIKeySVGLWBZOYHGXOG-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dihydronaphthalene-1-carboxylate?
The IUPAC name of methyl 1,2-dihydronaphthalene-1-carboxylate (CID 15368519) is methyl 1,2-dihydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 1,2-dihydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 1,2-dihydronaphthalene-1-carboxylate is COC(=O)C1CC=Cc2ccccc21.
What is the InChIKey of methyl 1,2-dihydronaphthalene-1-carboxylate?
The InChIKey is SVGLWBZOYHGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-7,11H,8H2,1H3.
What are the key properties of methyl 1,2-dihydronaphthalene-1-carboxylate?
methyl 1,2-dihydronaphthalene-1-carboxylate has a molecular weight of 188.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dihydronaphthalene-1-carboxylate is sourced from PubChem (CID 15368519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).