7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C18H9ClO2 — CID 167289365

IUPAC7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESClc1ccc2c(c1)oc1cc3c(cc12)oc1ccccc13
InChIInChI=1S/C18H9ClO2/c19-10-5-6-12-14-9-17-13(8-18(14)21-16(12)7-10)11-3-1-2-4-15(11)20-17/h1-9H
InChIKeyBXTQQKLJTDRUKF-UHFFFAOYSA-N
MW292.72 g/mol
LogP6.14
Rot. Bonds

About 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 167289365) has the molecular formula C18H9ClO2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID167289365
Molecular FormulaC18H9ClO2
Molecular Weight292.72 g/mol
Exact Mass292.03
IUPAC Name7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESClc1ccc2c(c1)oc1cc3c(cc12)oc1ccccc13
InChIInChI=1S/C18H9ClO2/c19-10-5-6-12-14-9-17-13(8-18(14)21-16(12)7-10)11-3-1-2-4-15(11)20-17/h1-9H
InChIKeyBXTQQKLJTDRUKF-UHFFFAOYSA-N
XLogP6.14
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.72
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Related Compounds

7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
7-chloro-2-phenyldibenzofuran
CID 146877075
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
19-chloro-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348305
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
7-chloro-2-naphthalen-1-yldibenzofuran
CID 171597258
2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
9-(7-chlorodibenzofuran-3-yl)carbazole
CID 146507114
CID 164569148
CID 164569148
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CID 154949827

Frequently Asked Questions

What is the IUPAC name of 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 167289365) is 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is Clc1ccc2c(c1)oc1cc3c(cc12)oc1ccccc13.
What is the InChIKey of 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is BXTQQKLJTDRUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClO2/c19-10-5-6-12-14-9-17-13(8-18(14)21-16(12)7-10)11-3-1-2-4-15(11)20-17/h1-9H.
What are the key properties of 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 292.72 g/mol, XLogP of 6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 167289365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).