methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate

C17H14O2 — CID 141037893

IUPACmethyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccccc1C=CC2
InChIInChI=1S/C17H14O2/c1-19-17(18)14-10-9-13-7-4-6-12-5-2-3-8-15(12)16(13)11-14/h2-6,8-11H,7H2,1H3
InChIKeyFOHXYAODPHBDLX-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.71
Rot. Bonds1

About methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate

methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate (PubChem CID 141037893) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate.

Molecular Properties

Compound Namemethyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate
PubChem CID141037893
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Namemethyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccccc1C=CC2
InChIInChI=1S/C17H14O2/c1-19-17(18)14-10-9-13-7-4-6-12-5-2-3-8-15(12)16(13)11-14/h2-6,8-11H,7H2,1H3
InChIKeyFOHXYAODPHBDLX-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate?
The IUPAC name of methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate (CID 141037893) is methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate.
What is the SMILES notation for methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate?
The canonical SMILES for methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate is COC(=O)c1ccc2c(c1)-c1ccccc1C=CC2.
What is the InChIKey of methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate?
The InChIKey is FOHXYAODPHBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-19-17(18)14-10-9-13-7-4-6-12-5-2-3-8-15(12)16(13)11-14/h2-6,8-11H,7H2,1H3.
What are the key properties of methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate?
methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate is sourced from PubChem (CID 141037893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).