17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one

C22H14O2 — CID 11243834

IUPAC17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
SMILESCOc1ccc2cc3c(cc2c1)C(=O)c1ccc2ccccc2c1-3
InChIInChI=1S/C22H14O2/c1-24-16-8-6-14-11-19-20(12-15(14)10-16)22(23)18-9-7-13-4-2-3-5-17(13)21(18)19/h2-12H,1H3
InChIKeyFRFFFAJPUHLDQN-UHFFFAOYSA-N
MW310.35 g/mol
LogP5.21
Rot. Bonds1

About 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one

17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one (PubChem CID 11243834) has the molecular formula C22H14O2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one.

Molecular Properties

Compound Name17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
PubChem CID11243834
Molecular FormulaC22H14O2
Molecular Weight310.35 g/mol
Exact Mass310.10
IUPAC Name17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
SMILESCOc1ccc2cc3c(cc2c1)C(=O)c1ccc2ccccc2c1-3
InChIInChI=1S/C22H14O2/c1-24-16-8-6-14-11-19-20(12-15(14)10-16)22(23)18-9-7-13-4-2-3-5-17(13)21(18)19/h2-12H,1H3
InChIKeyFRFFFAJPUHLDQN-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one?
The IUPAC name of 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one (CID 11243834) is 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one.
What is the SMILES notation for 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one?
The canonical SMILES for 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one is COc1ccc2cc3c(cc2c1)C(=O)c1ccc2ccccc2c1-3.
What is the InChIKey of 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one?
The InChIKey is FRFFFAJPUHLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O2/c1-24-16-8-6-14-11-19-20(12-15(14)10-16)22(23)18-9-7-13-4-2-3-5-17(13)21(18)19/h2-12H,1H3.
What are the key properties of 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one?
17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one has a molecular weight of 310.35 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one is sourced from PubChem (CID 11243834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).