methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C13H16O3 — CID 22882753

IUPACmethyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)[C@@H]1CCc2cc(OC)ccc2C1
InChIInChI=1S/C13H16O3/c1-15-12-6-5-9-7-11(13(14)16-2)4-3-10(9)8-12/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m1/s1
InChIKeyRVRLWBZKHLMAEM-LLVKDONJSA-N
MW220.27 g/mol
LogP1.97
Rot. Bonds2

About methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 22882753) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID22882753
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)[C@@H]1CCc2cc(OC)ccc2C1
InChIInChI=1S/C13H16O3/c1-15-12-6-5-9-7-11(13(14)16-2)4-3-10(9)8-12/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m1/s1
InChIKeyRVRLWBZKHLMAEM-LLVKDONJSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54194488
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
methyl 6-chlorosulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 142628771
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
methyl (2S)-1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 15124130
5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 138029318
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
6-acetyloxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 13439064

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 22882753) is methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is COC(=O)[C@@H]1CCc2cc(OC)ccc2C1.
What is the InChIKey of methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is RVRLWBZKHLMAEM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-12-6-5-9-7-11(13(14)16-2)4-3-10(9)8-12/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 22882753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).