ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C14H18O3 — CID 129389823

IUPACethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2ccc(OC)cc2C1
InChIInChI=1S/C14H18O3/c1-3-17-14(15)11-5-4-10-6-7-13(16-2)9-12(10)8-11/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyURRCBLGXCFTNSR-LLVKDONJSA-N
MW234.29 g/mol
LogP2.36
Rot. Bonds3

About ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 129389823) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID129389823
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2ccc(OC)cc2C1
InChIInChI=1S/C14H18O3/c1-3-17-14(15)11-5-4-10-6-7-13(16-2)9-12(10)8-11/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyURRCBLGXCFTNSR-LLVKDONJSA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
ethyl 6-(trifluoromethylsulfonyloxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22002835
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanoate
CID 115511255
ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
CID 115510557
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 67422105
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 166139289

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 129389823) is ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is CCOC(=O)[C@@H]1CCc2ccc(OC)cc2C1.
What is the InChIKey of ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is URRCBLGXCFTNSR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-17-14(15)11-5-4-10-6-7-13(16-2)9-12(10)8-11/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 234.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 129389823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).