13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene

C14H10O2 — CID 58931547

IUPAC13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene
SMILESCc1cc2c(o1)Cc1oc3ccccc3c1-2
InChIInChI=1S/C14H10O2/c1-8-6-10-12(15-8)7-13-14(10)9-4-2-3-5-11(9)16-13/h2-6H,7H2,1H3
InChIKeyPTSHFJAVHVFENS-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.91
Rot. Bonds

About 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene

13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene (PubChem CID 58931547) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene.

Molecular Properties

Compound Name13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene
PubChem CID58931547
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene
SMILESCc1cc2c(o1)Cc1oc3ccccc3c1-2
InChIInChI=1S/C14H10O2/c1-8-6-10-12(15-8)7-13-14(10)9-4-2-3-5-11(9)16-13/h2-6H,7H2,1H3
InChIKeyPTSHFJAVHVFENS-UHFFFAOYSA-N
XLogP3.91
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene?
The IUPAC name of 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene (CID 58931547) is 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene.
What is the SMILES notation for 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene?
The canonical SMILES for 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene is Cc1cc2c(o1)Cc1oc3ccccc3c1-2.
What is the InChIKey of 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene?
The InChIKey is PTSHFJAVHVFENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c1-8-6-10-12(15-8)7-13-14(10)9-4-2-3-5-11(9)16-13/h2-6H,7H2,1H3.
What are the key properties of 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene?
13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene has a molecular weight of 210.23 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene is sourced from PubChem (CID 58931547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).