dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate

C15H18O5 — CID 13171844

IUPACdimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
SMILESCOC(=O)[C@H]1[C@H](OC)c2ccccc2C[C@H]1C(=O)OC
InChIInChI=1S/C15H18O5/c1-18-13-10-7-5-4-6-9(10)8-11(14(16)19-2)12(13)15(17)20-3/h4-7,11-13H,8H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyNXQPHAYBNBAXME-JHJVBQTASA-N
MW278.30 g/mol
LogP1.51
Rot. Bonds3

About dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate

dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate (PubChem CID 13171844) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
PubChem CID13171844
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namedimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
SMILESCOC(=O)[C@H]1[C@H](OC)c2ccccc2C[C@H]1C(=O)OC
InChIInChI=1S/C15H18O5/c1-18-13-10-7-5-4-6-9(10)8-11(14(16)19-2)12(13)15(17)20-3/h4-7,11-13H,8H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyNXQPHAYBNBAXME-JHJVBQTASA-N
XLogP1.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate
CID 102418918
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
tert-butyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004961
tert-butyl (1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004965
(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
CID 71027765
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 77428227
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176

Frequently Asked Questions

What is the IUPAC name of dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate (CID 13171844) is dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate is COC(=O)[C@H]1[C@H](OC)c2ccccc2C[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate?
The InChIKey is NXQPHAYBNBAXME-JHJVBQTASA-N. The full InChI is InChI=1S/C15H18O5/c1-18-13-10-7-5-4-6-9(10)8-11(14(16)19-2)12(13)15(17)20-3/h4-7,11-13H,8H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate?
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate has a molecular weight of 278.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 13171844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).