18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione

C20H10O4 — CID 70133265

IUPAC18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1c2ccc2c(O)cccc21
InChIInChI=1S/C20H10O4/c21-15-7-3-6-13-10(15)8-9-14-16-17(22)11-4-1-2-5-12(11)18(23)20(16)24-19(13)14/h1-9,21H
InChIKeyGSXRSSONKAJDDU-UHFFFAOYSA-N
MW314.30 g/mol
LogP4.07
Rot. Bonds

About 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione

18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione (PubChem CID 70133265) has the molecular formula C20H10O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione.

Molecular Properties

Compound Name18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
PubChem CID70133265
Molecular FormulaC20H10O4
Molecular Weight314.30 g/mol
Exact Mass314.06
IUPAC Name18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1c2ccc2c(O)cccc21
InChIInChI=1S/C20H10O4/c21-15-7-3-6-13-10(15)8-9-14-16-17(22)11-4-1-2-5-12(11)18(23)20(16)24-19(13)14/h1-9,21H
InChIKeyGSXRSSONKAJDDU-UHFFFAOYSA-N
XLogP4.07
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione?
The IUPAC name of 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione (CID 70133265) is 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione.
What is the SMILES notation for 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione?
The canonical SMILES for 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione is O=C1c2ccccc2C(=O)c2c1oc1c2ccc2c(O)cccc21.
What is the InChIKey of 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione?
The InChIKey is GSXRSSONKAJDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10O4/c21-15-7-3-6-13-10(15)8-9-14-16-17(22)11-4-1-2-5-12(11)18(23)20(16)24-19(13)14/h1-9,21H.
What are the key properties of 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione?
18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione has a molecular weight of 314.30 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione is sourced from PubChem (CID 70133265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).