16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene

C16H12O — CID 20823194

IUPAC16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
SMILESc1ccc2c3c4c(cccc4cc2c1)CCO3
InChIInChI=1S/C16H12O/c1-2-7-14-12(4-1)10-13-6-3-5-11-8-9-17-16(14)15(11)13/h1-7,10H,8-9H2
InChIKeyUCMQRLZNFBSQSB-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.93
Rot. Bonds

About 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene

16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene (PubChem CID 20823194) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
PubChem CID20823194
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
SMILESc1ccc2c3c4c(cccc4cc2c1)CCO3
InChIInChI=1S/C16H12O/c1-2-7-14-12(4-1)10-13-6-3-5-11-8-9-17-16(14)15(11)13/h1-7,10H,8-9H2
InChIKeyUCMQRLZNFBSQSB-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
The IUPAC name of 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene (CID 20823194) is 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
The canonical SMILES for 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene is c1ccc2c3c4c(cccc4cc2c1)CCO3.
What is the InChIKey of 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
The InChIKey is UCMQRLZNFBSQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-2-7-14-12(4-1)10-13-6-3-5-11-8-9-17-16(14)15(11)13/h1-7,10H,8-9H2.
What are the key properties of 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene has a molecular weight of 220.27 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 20823194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).