10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene

C15H10O — CID 100980527

IUPAC10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene
SMILESC1=Cc2coc3cc4ccccc4c(c23)C1
InChIInChI=1S/C15H10O/c1-2-6-12-10(4-1)8-14-15-11(9-16-14)5-3-7-13(12)15/h1-6,8-9H,7H2
InChIKeyJMHJZXHZQDYKJP-UHFFFAOYSA-N
MW206.24 g/mol
LogP4.16
Rot. Bonds

About 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene

10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene (PubChem CID 100980527) has the molecular formula C15H10O and a molecular weight of 206.24 g/mol. Its IUPAC name is 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene.

Molecular Properties

Compound Name10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene
PubChem CID100980527
Molecular FormulaC15H10O
Molecular Weight206.24 g/mol
Exact Mass206.07
IUPAC Name10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene
SMILESC1=Cc2coc3cc4ccccc4c(c23)C1
InChIInChI=1S/C15H10O/c1-2-6-12-10(4-1)8-14-15-11(9-16-14)5-3-7-13(12)15/h1-6,8-9H,7H2
InChIKeyJMHJZXHZQDYKJP-UHFFFAOYSA-N
XLogP4.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene?
The IUPAC name of 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene (CID 100980527) is 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene.
What is the SMILES notation for 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene?
The canonical SMILES for 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene is C1=Cc2coc3cc4ccccc4c(c23)C1.
What is the InChIKey of 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene?
The InChIKey is JMHJZXHZQDYKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O/c1-2-6-12-10(4-1)8-14-15-11(9-16-14)5-3-7-13(12)15/h1-6,8-9H,7H2.
What are the key properties of 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene?
10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene has a molecular weight of 206.24 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene is sourced from PubChem (CID 100980527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).