methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate

C14H16O5 — CID 124559713

IUPACmethyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
SMILESCOC(=O)[C@H]1C(=O)CCc2c1ccc(OC)c2OC
InChIInChI=1S/C14H16O5/c1-17-11-7-5-8-9(13(11)18-2)4-6-10(15)12(8)14(16)19-3/h5,7,12H,4,6H2,1-3H3/t12-/m1/s1
InChIKeyRCXYQOWTBFRBHE-GFCCVEGCSA-N
MW264.28 g/mol
LogP1.48
Rot. Bonds3

About methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate

methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate (PubChem CID 124559713) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
PubChem CID124559713
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
SMILESCOC(=O)[C@H]1C(=O)CCc2c1ccc(OC)c2OC
InChIInChI=1S/C14H16O5/c1-17-11-7-5-8-9(13(11)18-2)4-6-10(15)12(8)14(16)19-3/h5,7,12H,4,6H2,1-3H3/t12-/m1/s1
InChIKeyRCXYQOWTBFRBHE-GFCCVEGCSA-N
XLogP1.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 11311593
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
S-methyl 5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbothioate
CID 12541345
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 163779890
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
methyl N-(5,6-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 19352269
methyl 2-oxo-1,3-dihydroindene-1-carboxylate
CID 10888732
N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 91277668
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 124843881
methyl 6,7-dimethoxy-3-oxo-1H-isoindole-2-carboxylate
CID 76847782

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate?
The IUPAC name of methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate (CID 124559713) is methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate.
What is the SMILES notation for methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate?
The canonical SMILES for methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate is COC(=O)[C@H]1C(=O)CCc2c1ccc(OC)c2OC.
What is the InChIKey of methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate?
The InChIKey is RCXYQOWTBFRBHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16O5/c1-17-11-7-5-8-9(13(11)18-2)4-6-10(15)12(8)14(16)19-3/h5,7,12H,4,6H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate?
methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate is sourced from PubChem (CID 124559713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).