(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol

C11H14O4 — CID 139587454

IUPAC(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol
SMILESCOc1cccc2c1[C@H](O)[C@@H](O)C[C@H]2O
InChIInChI=1S/C11H14O4/c1-15-9-4-2-3-6-7(12)5-8(13)11(14)10(6)9/h2-4,7-8,11-14H,5H2,1H3/t7-,8+,11-/m1/s1
InChIKeyUKFNTIAARGWWOP-VHSKPIJISA-N
MW210.23 g/mol
LogP0.53
Rot. Bonds1

About (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol

(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol (PubChem CID 139587454) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol.

Molecular Properties

Compound Name(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol
PubChem CID139587454
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol
SMILESCOc1cccc2c1[C@H](O)[C@@H](O)C[C@H]2O
InChIInChI=1S/C11H14O4/c1-15-9-4-2-3-6-7(12)5-8(13)11(14)10(6)9/h2-4,7-8,11-14H,5H2,1H3/t7-,8+,11-/m1/s1
InChIKeyUKFNTIAARGWWOP-VHSKPIJISA-N
XLogP0.53
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
3-(2-methoxyphenyl)cyclopentan-1-ol
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10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321
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CID 79726670
8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
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5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
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(3S)-5-methoxy-16-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-2,3-diol
CID 158553914
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol
CID 11344527

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol?
The IUPAC name of (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol (CID 139587454) is (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol.
What is the SMILES notation for (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol?
The canonical SMILES for (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol is COc1cccc2c1[C@H](O)[C@@H](O)C[C@H]2O.
What is the InChIKey of (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol?
The InChIKey is UKFNTIAARGWWOP-VHSKPIJISA-N. The full InChI is InChI=1S/C11H14O4/c1-15-9-4-2-3-6-7(12)5-8(13)11(14)10(6)9/h2-4,7-8,11-14H,5H2,1H3/t7-,8+,11-/m1/s1.
What are the key properties of (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol?
(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol has a molecular weight of 210.23 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol is sourced from PubChem (CID 139587454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).