15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene

C25H23Cl — CID 167008801

IUPAC15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene
SMILESClc1ccc2c(c1)C1CC3CC(C1)CC(C3)c1c-2ccc2ccccc12
InChIInChI=1S/C25H23Cl/c26-20-6-8-22-23-7-5-17-3-1-2-4-21(17)25(23)19-12-15-9-16(13-19)11-18(10-15)24(22)14-20/h1-8,14-16,18-19H,9-13H2
InChIKeyOERITPHZHLXCCQ-UHFFFAOYSA-N
MW358.91 g/mol
LogP7.55
Rot. Bonds

About 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene

15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene (PubChem CID 167008801) has the molecular formula C25H23Cl and a molecular weight of 358.91 g/mol. Its IUPAC name is 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene.

Molecular Properties

Compound Name15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene
PubChem CID167008801
Molecular FormulaC25H23Cl
Molecular Weight358.91 g/mol
Exact Mass358.15
IUPAC Name15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene
SMILESClc1ccc2c(c1)C1CC3CC(C1)CC(C3)c1c-2ccc2ccccc12
InChIInChI=1S/C25H23Cl/c26-20-6-8-22-23-7-5-17-3-1-2-4-21(17)25(23)19-12-15-9-16(13-19)11-18(10-15)24(22)14-20/h1-8,14-16,18-19H,9-13H2
InChIKeyOERITPHZHLXCCQ-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 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene?
The IUPAC name of 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene (CID 167008801) is 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene.
What is the SMILES notation for 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene?
The canonical SMILES for 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene is Clc1ccc2c(c1)C1CC3CC(C1)CC(C3)c1c-2ccc2ccccc12.
What is the InChIKey of 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene?
The InChIKey is OERITPHZHLXCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl/c26-20-6-8-22-23-7-5-17-3-1-2-4-21(17)25(23)19-12-15-9-16(13-19)11-18(10-15)24(22)14-20/h1-8,14-16,18-19H,9-13H2.
What are the key properties of 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene?
15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(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 15-chlorohexacyclo[18.3.1.118,22.02,11.03,8.012,17]pentacosa-2(11),3,5,7,9,12(17),13,15-octaene is sourced from PubChem (CID 167008801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).