methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate

C13H14O4 — CID 71740035

IUPACmethyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C[C@H](OC)[C@H]2O
InChIInChI=1S/C13H14O4/c1-16-11-6-4-8-7-9(13(15)17-2)3-5-10(8)12(11)14/h3-7,11-12,14H,1-2H3/t11-,12-/m0/s1
InChIKeySKKAOXPBVFRURW-RYUDHWBXSA-N
MW234.25 g/mol
LogP1.55
Rot. Bonds2

About methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate

methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 71740035) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate
PubChem CID71740035
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namemethyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C[C@H](OC)[C@H]2O
InChIInChI=1S/C13H14O4/c1-16-11-6-4-8-7-9(13(15)17-2)3-5-10(8)12(11)14/h3-7,11-12,14H,1-2H3/t11-,12-/m0/s1
InChIKeySKKAOXPBVFRURW-RYUDHWBXSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
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trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl 4-[(1S,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]benzoate
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dimethyl 4-acetylbenzene-1,3-dicarboxylate
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methyl (4R)-4-hydroxy-3,4-dihydro-2H-thiochromene-7-carboxylate
CID 59089465
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate
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azane;dimethyl benzene-1,3-dicarboxylate;hydron
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methyl 3-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-6-carboxylate
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methyl 3-amino-2,3-dihydro-1-benzothiophene-6-carboxylate
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dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882

Frequently Asked Questions

What is the IUPAC name of methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate (CID 71740035) is methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C=C[C@H](OC)[C@H]2O.
What is the InChIKey of methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is SKKAOXPBVFRURW-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-11-6-4-8-7-9(13(15)17-2)3-5-10(8)12(11)14/h3-7,11-12,14H,1-2H3/t11-,12-/m0/s1.
What are the key properties of methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate?
methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 71740035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).