19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene

C19H14O2 — CID 163622526

IUPAC19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
SMILESCC1CC=Cc2oc3cc4oc5ccccc5c4cc3c21
InChIInChI=1S/C19H14O2/c1-11-5-4-8-16-19(11)14-9-13-12-6-2-3-7-15(12)20-17(13)10-18(14)21-16/h2-4,6-11H,5H2,1H3
InChIKeyHPIFPEQPKOHVKX-UHFFFAOYSA-N
MW274.32 g/mol
LogP5.85
Rot. Bonds

About 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene

19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene (PubChem CID 163622526) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene.

Molecular Properties

Compound Name19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
PubChem CID163622526
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
SMILESCC1CC=Cc2oc3cc4oc5ccccc5c4cc3c21
InChIInChI=1S/C19H14O2/c1-11-5-4-8-16-19(11)14-9-13-12-6-2-3-7-15(12)20-17(13)10-18(14)21-16/h2-4,6-11H,5H2,1H3
InChIKeyHPIFPEQPKOHVKX-UHFFFAOYSA-N
XLogP5.85
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.32
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene with MolForge

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Related Compounds

10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine
CID 130374319
10,14,16-trioxahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene
CID 176865658
3-(4-methylcyclohexyl)dibenzofuran
CID 134344600
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
2-cyclohexyldibenzofuran
CID 163628573
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol
CID 170092914
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
7,8,9,10-tetrahydronaphtho[2,3-b][1]benzofuran
CID 169029788

Frequently Asked Questions

What is the IUPAC name of 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene?
The IUPAC name of 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene (CID 163622526) is 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene.
What is the SMILES notation for 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene?
The canonical SMILES for 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene is CC1CC=Cc2oc3cc4oc5ccccc5c4cc3c21.
What is the InChIKey of 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene?
The InChIKey is HPIFPEQPKOHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-11-5-4-8-16-19(11)14-9-13-12-6-2-3-7-15(12)20-17(13)10-18(14)21-16/h2-4,6-11H,5H2,1H3.
What are the key properties of 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene?
19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene has a molecular weight of 274.32 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene is sourced from PubChem (CID 163622526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).