(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol

C11H12O3 — CID 11344527

IUPAC(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol
SMILESCOc1cccc2c1[C@@H](O)[C@@H](O)C=C2
InChIInChI=1S/C11H12O3/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9/h2-6,8,11-13H,1H3/t8-,11-/m0/s1
InChIKeySFEPTPGKKJVLFU-KWQFWETISA-N
MW192.21 g/mol
LogP1.12
Rot. Bonds1

About (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol

(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol (PubChem CID 11344527) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol
PubChem CID11344527
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol
SMILESCOc1cccc2c1[C@@H](O)[C@@H](O)C=C2
InChIInChI=1S/C11H12O3/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9/h2-6,8,11-13H,1H3/t8-,11-/m0/s1
InChIKeySFEPTPGKKJVLFU-KWQFWETISA-N
XLogP1.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[(1S,2R)-1-hydroxy-8-methoxy-1,2-dihydronaphthalen-2-yl]methyl]-2-oxochromene-3-carbonitrile
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CID 158553914
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CID 83830365
(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 132579460
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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol?
The IUPAC name of (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol (CID 11344527) is (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol.
What is the SMILES notation for (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol?
The canonical SMILES for (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol is COc1cccc2c1[C@@H](O)[C@@H](O)C=C2.
What is the InChIKey of (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol?
The InChIKey is SFEPTPGKKJVLFU-KWQFWETISA-N. The full InChI is InChI=1S/C11H12O3/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9/h2-6,8,11-13H,1H3/t8-,11-/m0/s1.
What are the key properties of (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol?
(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol has a molecular weight of 192.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol is sourced from PubChem (CID 11344527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).