2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol

C9H10O2 — CID 158885304

IUPAC2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol
SMILESCc1c(O)c(O)cc2c1CC2
InChIInChI=1S/C9H10O2/c1-5-7-3-2-6(7)4-8(10)9(5)11/h4,10-11H,2-3H2,1H3
InChIKeyJDOAKDOKCQQVSD-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.50
Rot. Bonds

About 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol

2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol (PubChem CID 158885304) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol.

Molecular Properties

Compound Name2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol
PubChem CID158885304
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol
SMILESCc1c(O)c(O)cc2c1CC2
InChIInChI=1S/C9H10O2/c1-5-7-3-2-6(7)4-8(10)9(5)11/h4,10-11H,2-3H2,1H3
InChIKeyJDOAKDOKCQQVSD-UHFFFAOYSA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol?
The IUPAC name of 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol (CID 158885304) is 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol.
What is the SMILES notation for 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol?
The canonical SMILES for 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol is Cc1c(O)c(O)cc2c1CC2.
What is the InChIKey of 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol?
The InChIKey is JDOAKDOKCQQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-5-7-3-2-6(7)4-8(10)9(5)11/h4,10-11H,2-3H2,1H3.
What are the key properties of 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol?
2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol has a molecular weight of 150.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol is sourced from PubChem (CID 158885304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).