methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate

C10H10O3 — CID 14546673

IUPACmethyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
SMILESCOC(=O)C1(O)Cc2ccccc21
InChIInChI=1S/C10H10O3/c1-13-9(11)10(12)6-7-4-2-3-5-8(7)10/h2-5,12H,6H2,1H3
InChIKeyJNMFOVQYTKFHOX-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.60
Rot. Bonds1

About methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate

methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate (PubChem CID 14546673) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
PubChem CID14546673
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namemethyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
SMILESCOC(=O)C1(O)Cc2ccccc21
InChIInChI=1S/C10H10O3/c1-13-9(11)10(12)6-7-4-2-3-5-8(7)10/h2-5,12H,6H2,1H3
InChIKeyJNMFOVQYTKFHOX-UHFFFAOYSA-N
XLogP0.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate with MolForge

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Related Compounds

methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 10103432
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
dimethyl 4H-naphthalene-1,1-dicarboxylate
CID 14462724
methyl (1R)-1-methylspiro[2,4-dihydroisoquinolin-2-ium-3,1'-cyclohexane]-1-carboxylate
CID 7437872
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
methyl (2S,3S)-3-benzyl-2-(2-cyanoethyl)-3-hydroxy-1H-indene-2-carboxylate
CID 16664283
methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate
CID 164584289
methyl (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 907846
dimethyl hexacyclo[9.6.1.11,11.02,10.04,8.012,17]nonadeca-3,8,12,14,16-pentaene-6,6-dicarboxylate
CID 101356228
dimethyl (1S,9S)-1-methyltricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate
CID 71567947
methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride
CID 91798750

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
The IUPAC name of methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate (CID 14546673) is methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate.
What is the SMILES notation for methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
The canonical SMILES for methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate is COC(=O)C1(O)Cc2ccccc21.
What is the InChIKey of methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
The InChIKey is JNMFOVQYTKFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-13-9(11)10(12)6-7-4-2-3-5-8(7)10/h2-5,12H,6H2,1H3.
What are the key properties of methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate is sourced from PubChem (CID 14546673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).