6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C13H13O4- — CID 71383857

IUPAC6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC(C(=O)[O-])C2
InChIInChI=1S/C13H14O4/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h3,5,7,10H,2,4,6H2,1H3,(H,14,15)/p-1
InChIKeyLDPJGCUZWRJONF-UHFFFAOYSA-M
MW233.24 g/mol
LogP0.33
Rot. Bonds2

About 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 71383857) has the molecular formula C13H13O4- and a molecular weight of 233.24 g/mol. Its IUPAC name is 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID71383857
Molecular FormulaC13H13O4-
Molecular Weight233.24 g/mol
Exact Mass233.08
IUPAC Name6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC(C(=O)[O-])C2
InChIInChI=1S/C13H14O4/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h3,5,7,10H,2,4,6H2,1H3,(H,14,15)/p-1
InChIKeyLDPJGCUZWRJONF-UHFFFAOYSA-M
XLogP0.33
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
CID 139896320
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
1-O-methyl 3-O-(1,2,3,4-tetrahydronaphthalene-2-carbonyl) benzene-1,3-dicarboxylate
CID 174466662
methyl 6-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54194488
1,2,3,4-tetrahydronaphthalene-2,7-dicarbonyl chloride
CID 91735706
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate
CID 58055565
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 71383857) is 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)CCC(C(=O)[O-])C2.
What is the InChIKey of 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is LDPJGCUZWRJONF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14O4/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h3,5,7,10H,2,4,6H2,1H3,(H,14,15)/p-1.
What are the key properties of 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 233.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 71383857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).