8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C19H12O2 — CID 22895103

IUPAC8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1ccc2c(c1)Oc1cccc3c1C2c1ccccc1O3
InChIInChI=1S/C19H12O2/c1-3-8-14-12(6-1)18-13-7-2-4-9-15(13)21-17-11-5-10-16(20-14)19(17)18/h1-11,18H
InChIKeyBIZXVZVOYONFML-UHFFFAOYSA-N
MW272.30 g/mol
LogP5.08
Rot. Bonds

About 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 22895103) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID22895103
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1ccc2c(c1)Oc1cccc3c1C2c1ccccc1O3
InChIInChI=1S/C19H12O2/c1-3-8-14-12(6-1)18-13-7-2-4-9-15(13)21-17-11-5-10-16(20-14)19(17)18/h1-11,18H
InChIKeyBIZXVZVOYONFML-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzhydryl-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795244
5,10-bis(8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenazine
CID 171720790
8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one
CID 22491669
9-amino-9H-xanthen-3-ol
CID 10443193
N-phenyl-2-(9H-xanthen-9-yl)aniline
CID 144844147
9H-xanthen-9-ylazanium
CID 51652356
2-methylpropane;9-phenyl-9H-xanthene
CID 158880886
13-oxa-2-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 161352540
9-(2,3-diethylphenyl)-9H-xanthene
CID 67026470
[3-(8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-(3-methylphenyl)-diphenylsilane
CID 174116299
3,4-diamino-3,4-dihydrochromen-2-one
CID 86031829
9-hydroxy-9H-xanthene-1-carbonitrile
CID 155464984

Frequently Asked Questions

What is the IUPAC name of 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 22895103) is 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is c1ccc2c(c1)Oc1cccc3c1C2c1ccccc1O3.
What is the InChIKey of 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is BIZXVZVOYONFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c1-3-8-14-12(6-1)18-13-7-2-4-9-15(13)21-17-11-5-10-16(20-14)19(17)18/h1-11,18H.
What are the key properties of 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 272.30 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 22895103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).