8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one

C20H18O4 — CID 118725391

IUPAC8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one
SMILESO=c1c2c(oc3ccccc13)-c1ccccc1OCCCCCO2
InChIInChI=1S/C20H18O4/c21-18-14-8-2-5-11-17(14)24-19-15-9-3-4-10-16(15)22-12-6-1-7-13-23-20(18)19/h2-5,8-11H,1,6-7,12-13H2
InChIKeyYPODZWXOCOSPHB-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.40
Rot. Bonds

About 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one

8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one (PubChem CID 118725391) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one.

Molecular Properties

Compound Name8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one
PubChem CID118725391
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one
SMILESO=c1c2c(oc3ccccc13)-c1ccccc1OCCCCCO2
InChIInChI=1S/C20H18O4/c21-18-14-8-2-5-11-17(14)24-19-15-9-3-4-10-16(15)22-12-6-1-7-13-23-20(18)19/h2-5,8-11H,1,6-7,12-13H2
InChIKeyYPODZWXOCOSPHB-UHFFFAOYSA-N
XLogP4.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one?
The IUPAC name of 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one (CID 118725391) is 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one.
What is the SMILES notation for 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one?
The canonical SMILES for 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one is O=c1c2c(oc3ccccc13)-c1ccccc1OCCCCCO2.
What is the InChIKey of 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one?
The InChIKey is YPODZWXOCOSPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c21-18-14-8-2-5-11-17(14)24-19-15-9-3-4-10-16(15)22-12-6-1-7-13-23-20(18)19/h2-5,8-11H,1,6-7,12-13H2.
What are the key properties of 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one?
8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one has a molecular weight of 322.36 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14,23-trioxatetracyclo[13.8.0.02,7.017,22]tricosa-1(15),2,4,6,17,19,21-heptaen-16-one is sourced from PubChem (CID 118725391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).