15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene

C18H14O — CID 86178905

IUPAC15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene
SMILESC1=Cc2ccccc2C23CCC(=C4COC=C42)C=C13
InChIInChI=1S/C18H14O/c1-2-4-16-12(3-1)5-6-14-9-13-7-8-18(14,16)17-11-19-10-15(13)17/h1-6,9,11H,7-8,10H2
InChIKeyBEYWOZAROOHKEC-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.90
Rot. Bonds

About 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene

15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene (PubChem CID 86178905) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene.

Molecular Properties

Compound Name15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene
PubChem CID86178905
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene
SMILESC1=Cc2ccccc2C23CCC(=C4COC=C42)C=C13
InChIInChI=1S/C18H14O/c1-2-4-16-12(3-1)5-6-14-9-13-7-8-18(14,16)17-11-19-10-15(13)17/h1-6,9,11H,7-8,10H2
InChIKeyBEYWOZAROOHKEC-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene?
The IUPAC name of 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene (CID 86178905) is 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene.
What is the SMILES notation for 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene?
The canonical SMILES for 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene is C1=Cc2ccccc2C23CCC(=C4COC=C42)C=C13.
What is the InChIKey of 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene?
The InChIKey is BEYWOZAROOHKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-2-4-16-12(3-1)5-6-14-9-13-7-8-18(14,16)17-11-19-10-15(13)17/h1-6,9,11H,7-8,10H2.
What are the key properties of 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene?
15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene has a molecular weight of 246.31 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene is sourced from PubChem (CID 86178905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).