4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one

C24H28O3 — CID 18669750

IUPAC4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one
SMILESCCCOC1CCC2=C(C3C4=CCCC5=C4C(=C3C=C2)CCC5=O)C1OC
InChIInChI=1S/C24H28O3/c1-3-13-27-20-12-8-14-7-9-16-15-10-11-19(25)17-5-4-6-18(22(15)17)23(16)21(14)24(20)26-2/h6-7,9,20,23-24H,3-5,8,10-13H2,1-2H3
InChIKeyXBINJOAYTXMGTM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.76
Rot. Bonds4

About 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one

4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one (PubChem CID 18669750) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one.

Molecular Properties

Compound Name4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one
PubChem CID18669750
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one
SMILESCCCOC1CCC2=C(C3C4=CCCC5=C4C(=C3C=C2)CCC5=O)C1OC
InChIInChI=1S/C24H28O3/c1-3-13-27-20-12-8-14-7-9-16-15-10-11-19(25)17-5-4-6-18(22(15)17)23(16)21(14)24(20)26-2/h6-7,9,20,23-24H,3-5,8,10-13H2,1-2H3
InChIKeyXBINJOAYTXMGTM-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one?
The IUPAC name of 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one (CID 18669750) is 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one.
What is the SMILES notation for 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one?
The canonical SMILES for 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one is CCCOC1CCC2=C(C3C4=CCCC5=C4C(=C3C=C2)CCC5=O)C1OC.
What is the InChIKey of 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one?
The InChIKey is XBINJOAYTXMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-3-13-27-20-12-8-14-7-9-16-15-10-11-19(25)17-5-4-6-18(22(15)17)23(16)21(14)24(20)26-2/h6-7,9,20,23-24H,3-5,8,10-13H2,1-2H3.
What are the key properties of 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one?
4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one has a molecular weight of 364.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-propoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),3(8),9,11,16(20)-pentaen-15-one is sourced from PubChem (CID 18669750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).