20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C20H10BrClO — CID 155484512

IUPAC20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESClc1c2ccccc2cc2oc3c4ccccc4c(Br)cc3c12
InChIInChI=1S/C20H10BrClO/c21-16-10-15-18-17(9-11-5-1-2-6-12(11)19(18)22)23-20(15)14-8-4-3-7-13(14)16/h1-10H
InChIKeyFAPWKPYIZCQVNM-UHFFFAOYSA-N
MW381.66 g/mol
LogP7.31
Rot. Bonds

About 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (PubChem CID 155484512) has the molecular formula C20H10BrClO and a molecular weight of 381.66 g/mol. Its IUPAC name is 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

Molecular Properties

Compound Name20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
PubChem CID155484512
Molecular FormulaC20H10BrClO
Molecular Weight381.66 g/mol
Exact Mass379.96
IUPAC Name20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESClc1c2ccccc2cc2oc3c4ccccc4c(Br)cc3c12
InChIInChI=1S/C20H10BrClO/c21-16-10-15-18-17(9-11-5-1-2-6-12(11)19(18)22)23-20(15)14-8-4-3-7-13(14)16/h1-10H
InChIKeyFAPWKPYIZCQVNM-UHFFFAOYSA-N
XLogP7.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
CID 163787145
9-bromo-14-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155763695
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
2-bromo-9-chlorobenzo[f][1]benzofuran
CID 176753820
4,5-dibromo-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-1,3,5,7,9,11,13-heptaene
CID 123634923
5,9-dibromonaphtho[2,1-b][1]benzofuran
CID 90263899
3-bromo-9-chlorobenzo[f][1]benzofuran
CID 176753905
3-bromo-2-chlorophenanthrene
CID 166845355
8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 167424257
11-bromo-8-chloronaphtho[2,1-b][1]benzofuran
CID 156553904
11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran
CID 163932137
10-bromo-13-oxaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 154600229

Frequently Asked Questions

What is the IUPAC name of 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The IUPAC name of 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (CID 155484512) is 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.
What is the SMILES notation for 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The canonical SMILES for 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is Clc1c2ccccc2cc2oc3c4ccccc4c(Br)cc3c12.
What is the InChIKey of 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The InChIKey is FAPWKPYIZCQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10BrClO/c21-16-10-15-18-17(9-11-5-1-2-6-12(11)19(18)22)23-20(15)14-8-4-3-7-13(14)16/h1-10H.
What are the key properties of 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene has a molecular weight of 381.66 g/mol, XLogP of 7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 155484512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).