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

C16H12O — CID 20823189

IUPAC14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
SMILESc1ccc2c3c4c(cccc4cc2c1)OCC3
InChIInChI=1S/C16H12O/c1-2-6-13-11(4-1)10-12-5-3-7-15-16(12)14(13)8-9-17-15/h1-7,10H,8-9H2
InChIKeyFUHPAGJBZNWTFP-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.93
Rot. Bonds

About 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene

14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene (PubChem CID 20823189) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
PubChem CID20823189
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
SMILESc1ccc2c3c4c(cccc4cc2c1)OCC3
InChIInChI=1S/C16H12O/c1-2-6-13-11(4-1)10-12-5-3-7-15-16(12)14(13)8-9-17-15/h1-7,10H,8-9H2
InChIKeyFUHPAGJBZNWTFP-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'}

Analyze 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene with MolForge

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Related Compounds

1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569
16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
CID 20823194
2,3-dihydro-1H-benzo[a]phenalene
CID 6427872
9-bromo-1,2-dihydrobenzo[e][1]benzofuran
CID 171477282
6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene
CID 23557927
4-(bromomethyl)-2,3-dihydro-1-benzofuran
CID 139534248
heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
CID 159466514
9,12-dioxa-2-thiatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene
CID 68743568
7-methyl-2,3,5,6-tetrahydro-1,4-benzodioxocine
CID 170038060
1-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
CID 141164132
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
CID 143901590

Frequently Asked Questions

What is the IUPAC name of 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
The IUPAC name of 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene (CID 20823189) is 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
The canonical SMILES for 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene is c1ccc2c3c4c(cccc4cc2c1)OCC3.
What is the InChIKey of 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
The InChIKey is FUHPAGJBZNWTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-2-6-13-11(4-1)10-12-5-3-7-15-16(12)14(13)8-9-17-15/h1-7,10H,8-9H2.
What are the key properties of 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene?
14-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 14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 20823189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).