16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene

C25H23Cl — CID 167008847

IUPAC16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene
SMILESClc1cccc2c1C1CC3CC(CC(C3)c3cc4ccccc4cc3-2)C1
InChIInChI=1S/C25H23Cl/c26-24-7-3-6-21-23-14-18-5-2-1-4-17(18)13-22(23)19-9-15-8-16(10-19)12-20(11-15)25(21)24/h1-7,13-16,19-20H,8-12H2
InChIKeyIHOFIXFBYRFESQ-UHFFFAOYSA-N
MW358.91 g/mol
LogP7.55
Rot. Bonds

About 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene

16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene (PubChem CID 167008847) has the molecular formula C25H23Cl and a molecular weight of 358.91 g/mol. Its IUPAC name is 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene.

Molecular Properties

Compound Name16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene
PubChem CID167008847
Molecular FormulaC25H23Cl
Molecular Weight358.91 g/mol
Exact Mass358.15
IUPAC Name16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene
SMILESClc1cccc2c1C1CC3CC(CC(C3)c3cc4ccccc4cc3-2)C1
InChIInChI=1S/C25H23Cl/c26-24-7-3-6-21-23-14-18-5-2-1-4-17(18)13-22(23)19-9-15-8-16(10-19)12-20(11-15)25(21)24/h1-7,13-16,19-20H,8-12H2
InChIKeyIHOFIXFBYRFESQ-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.91
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene?
The IUPAC name of 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene (CID 167008847) is 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene.
What is the SMILES notation for 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene?
The canonical SMILES for 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene is Clc1cccc2c1C1CC3CC(CC(C3)c3cc4ccccc4cc3-2)C1.
What is the InChIKey of 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene?
The InChIKey is IHOFIXFBYRFESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl/c26-24-7-3-6-21-23-14-18-5-2-1-4-17(18)13-22(23)19-9-15-8-16(10-19)12-20(11-15)25(21)24/h1-7,13-16,19-20H,8-12H2.
What are the key properties of 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene?
16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene has a molecular weight of 358.91 g/mol, XLogP of 7.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chlorohexacyclo[18.3.1.118,22.02,11.04,9.012,17]pentacosa-2,4,6,8,10,12(17),13,15-octaene is sourced from PubChem (CID 167008847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).