6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene

C23H22O4 — CID 139179150

IUPAC6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene
SMILESCOc1ccc2c(c1)C=C1CCCCC3=Cc4cc(OC)ccc4OC13O2
InChIInChI=1S/C23H22O4/c1-24-19-7-9-21-15(13-19)11-17-5-3-4-6-18-12-16-14-20(25-2)8-10-22(16)27-23(17,18)26-21/h7-14H,3-6H2,1-2H3
InChIKeyJWVJFDABCJYTPG-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.23
Rot. Bonds2

About 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene

6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene (PubChem CID 139179150) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene.

Molecular Properties

Compound Name6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene
PubChem CID139179150
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene
SMILESCOc1ccc2c(c1)C=C1CCCCC3=Cc4cc(OC)ccc4OC13O2
InChIInChI=1S/C23H22O4/c1-24-19-7-9-21-15(13-19)11-17-5-3-4-6-18-12-16-14-20(25-2)8-10-22(16)27-23(17,18)26-21/h7-14H,3-6H2,1-2H3
InChIKeyJWVJFDABCJYTPG-UHFFFAOYSA-N
XLogP5.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene with MolForge

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Related Compounds

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CID 154714956
(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
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ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate
CID 102225579
7-methoxy-2,2-dimethyl-10a-(trifluoromethyl)-3H-pyrano[2,3-b]chromen-4-one
CID 11659904
10-bromo-6a-(4-methoxyphenyl)-5H-isochromeno[3,4-b]chromene
CID 102358790
6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
9-cyclopentylidene-3,6-dimethoxyxanthene
CID 71740302
2,2-bis(4-fluorophenyl)-6-methoxychromene
CID 71361633
3,7-dimethoxy-2,2-dimethylchromene
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5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048
6-methoxy-1,2-benzodioxine
CID 87680387

Frequently Asked Questions

What is the IUPAC name of 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene?
The IUPAC name of 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene (CID 139179150) is 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene.
What is the SMILES notation for 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene?
The canonical SMILES for 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene is COc1ccc2c(c1)C=C1CCCCC3=Cc4cc(OC)ccc4OC13O2.
What is the InChIKey of 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene?
The InChIKey is JWVJFDABCJYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-24-19-7-9-21-15(13-19)11-17-5-3-4-6-18-12-16-14-20(25-2)8-10-22(16)27-23(17,18)26-21/h7-14H,3-6H2,1-2H3.
What are the key properties of 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene?
6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene has a molecular weight of 362.43 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-dimethoxy-2,23-dioxapentacyclo[13.8.0.01,10.03,8.017,22]tricosa-3(8),4,6,9,15,17(22),18,20-octaene is sourced from PubChem (CID 139179150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).