3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione

C18H10O4 — CID 67403426

IUPAC3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
SMILESO=c1oc2ccc3ccccc3c2oc(=O)c2ccc1cc2
InChIInChI=1S/C18H10O4/c19-17-12-5-7-13(8-6-12)18(20)22-16-14-4-2-1-3-11(14)9-10-15(16)21-17/h1-10H
InChIKeyNKOAAZDNYDANRF-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.61
Rot. Bonds

About 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione

3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione (PubChem CID 67403426) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione.

Molecular Properties

Compound Name3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
PubChem CID67403426
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Name3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
SMILESO=c1oc2ccc3ccccc3c2oc(=O)c2ccc1cc2
InChIInChI=1S/C18H10O4/c19-17-12-5-7-13(8-6-12)18(20)22-16-14-4-2-1-3-11(14)9-10-15(16)21-17/h1-10H
InChIKeyNKOAAZDNYDANRF-UHFFFAOYSA-N
XLogP3.61
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-iodobenzo[f]chromen-3-one
CID 71734520
naphtho[1,2-c]chromen-5-one
CID 102526290
3-hydroxy-4-methylbenzo[h]chromen-2-one
CID 154018255
3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one
CID 614063
3-oxobenzo[f][1,4]benzoxazine-2-carbonitrile
CID 72723209
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021
2-nitrobenzo[f]chromen-3-one
CID 13399886
17-methyl-12,20-dioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17-nonaen-21-one
CID 118531175
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106
17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione
CID 101479276
2-butylbenzo[f]chromen-3-one
CID 162410575

Frequently Asked Questions

What is the IUPAC name of 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione?
The IUPAC name of 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione (CID 67403426) is 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione.
What is the SMILES notation for 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione?
The canonical SMILES for 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione is O=c1oc2ccc3ccccc3c2oc(=O)c2ccc1cc2.
What is the InChIKey of 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione?
The InChIKey is NKOAAZDNYDANRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-17-12-5-7-13(8-6-12)18(20)22-16-14-4-2-1-3-11(14)9-10-15(16)21-17/h1-10H.
What are the key properties of 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione?
3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione has a molecular weight of 290.27 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione is sourced from PubChem (CID 67403426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).