(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol

C9H10O3 — CID 12996468

IUPAC(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
SMILESCOc1cccc2c1[C@@H](O)[C@H]2O
InChIInChI=1S/C9H10O3/c1-12-6-4-2-3-5-7(6)9(11)8(5)10/h2-4,8-11H,1H3/t8-,9+/m0/s1
InChIKeyQKYDEEKZANBUMI-DTWKUNHWSA-N
MW166.18 g/mol
LogP0.78
Rot. Bonds1

About (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol

(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol (PubChem CID 12996468) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol.

Molecular Properties

Compound Name(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
PubChem CID12996468
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
SMILESCOc1cccc2c1[C@@H](O)[C@H]2O
InChIInChI=1S/C9H10O3/c1-12-6-4-2-3-5-7(6)9(11)8(5)10/h2-4,8-11H,1H3/t8-,9+/m0/s1
InChIKeyQKYDEEKZANBUMI-DTWKUNHWSA-N
XLogP0.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol with MolForge

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Related Compounds

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CID 132777321
(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
(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol
CID 11344527
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CID 98556362
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2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
CID 174806926
(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
CID 134866217
7-methoxy-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
CID 83830365
8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
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(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol?
The IUPAC name of (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol (CID 12996468) is (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol.
What is the SMILES notation for (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol?
The canonical SMILES for (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol is COc1cccc2c1[C@@H](O)[C@H]2O.
What is the InChIKey of (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol?
The InChIKey is QKYDEEKZANBUMI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H10O3/c1-12-6-4-2-3-5-7(6)9(11)8(5)10/h2-4,8-11H,1H3/t8-,9+/m0/s1.
What are the key properties of (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol?
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol has a molecular weight of 166.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol is sourced from PubChem (CID 12996468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).