(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene

C24H18O4 — CID 15568466

IUPAC(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
SMILESCOc1cc2c(c3ccccc13)O[C@@H]1c3cc(OC)c4ccccc4c3O[C@H]21
InChIInChI=1S/C24H18O4/c1-25-19-11-17-21(15-9-5-3-7-13(15)19)27-24-18-12-20(26-2)14-8-4-6-10-16(14)22(18)28-23(17)24/h3-12,23-24H,1-2H3/t23-,24-/m1/s1
InChIKeyHQGJFEAXSAZTFT-DNQXCXABSA-N
MW370.40 g/mol
LogP5.58
Rot. Bonds2

About (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene

(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene (PubChem CID 15568466) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene.

Molecular Properties

Compound Name(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
PubChem CID15568466
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
SMILESCOc1cc2c(c3ccccc13)O[C@@H]1c3cc(OC)c4ccccc4c3O[C@H]21
InChIInChI=1S/C24H18O4/c1-25-19-11-17-21(15-9-5-3-7-13(15)19)27-24-18-12-20(26-2)14-8-4-6-10-16(14)22(18)28-23(17)24/h3-12,23-24H,1-2H3/t23-,24-/m1/s1
InChIKeyHQGJFEAXSAZTFT-DNQXCXABSA-N
XLogP5.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene?
The IUPAC name of (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene (CID 15568466) is (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene.
What is the SMILES notation for (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene?
The canonical SMILES for (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene is COc1cc2c(c3ccccc13)O[C@@H]1c3cc(OC)c4ccccc4c3O[C@H]21.
What is the InChIKey of (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene?
The InChIKey is HQGJFEAXSAZTFT-DNQXCXABSA-N. The full InChI is InChI=1S/C24H18O4/c1-25-19-11-17-21(15-9-5-3-7-13(15)19)27-24-18-12-20(26-2)14-8-4-6-10-16(14)22(18)28-23(17)24/h3-12,23-24H,1-2H3/t23-,24-/m1/s1.
What are the key properties of (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene?
(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene has a molecular weight of 370.40 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene is sourced from PubChem (CID 15568466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).