16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene

C24H11ClO3 — CID 146441792

IUPAC16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
SMILESClc1cccc2c1oc1c3oc4ccccc4c3c3c4ccccc4oc3c21
InChIInChI=1S/C24H11ClO3/c25-15-9-5-8-14-20-22-18(12-6-1-3-10-16(12)26-22)19-13-7-2-4-11-17(13)27-23(19)24(20)28-21(14)15/h1-11H
InChIKeyQZVZPAJLCFSXGG-UHFFFAOYSA-N
MW382.80 g/mol
LogP8.04
Rot. Bonds

About 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene

16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene (PubChem CID 146441792) has the molecular formula C24H11ClO3 and a molecular weight of 382.80 g/mol. Its IUPAC name is 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene.

Molecular Properties

Compound Name16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
PubChem CID146441792
Molecular FormulaC24H11ClO3
Molecular Weight382.80 g/mol
Exact Mass382.04
IUPAC Name16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
SMILESClc1cccc2c1oc1c3oc4ccccc4c3c3c4ccccc4oc3c21
InChIInChI=1S/C24H11ClO3/c25-15-9-5-8-14-20-22-18(12-6-1-3-10-16(12)26-22)19-13-7-2-4-11-17(13)27-23(19)24(20)28-21(14)15/h1-11H
InChIKeyQZVZPAJLCFSXGG-UHFFFAOYSA-N
XLogP8.04
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.80
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene with MolForge

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Related Compounds

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CID 154978348
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-6-triphenylen-1-yl-1,3,5-triazine
CID 147180477
8-chloronaphtho[2,1-b][1]benzofuran;4,4,5,5-tetramethyl-2-naphtho[2,1-b][1]benzofuran-8-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162211794
15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene
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Frequently Asked Questions

What is the IUPAC name of 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?
The IUPAC name of 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene (CID 146441792) is 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene.
What is the SMILES notation for 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?
The canonical SMILES for 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene is Clc1cccc2c1oc1c3oc4ccccc4c3c3c4ccccc4oc3c21.
What is the InChIKey of 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?
The InChIKey is QZVZPAJLCFSXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11ClO3/c25-15-9-5-8-14-20-22-18(12-6-1-3-10-16(12)26-22)19-13-7-2-4-11-17(13)27-23(19)24(20)28-21(14)15/h1-11H.
What are the key properties of 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?
16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene has a molecular weight of 382.80 g/mol, XLogP of 8.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene is sourced from PubChem (CID 146441792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).