9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene

C22H11ClO — CID 166846548

IUPAC9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene
SMILESClc1cccc2oc3c4c(ccc3c12)-c1cccc2cccc-4c12
InChIInChI=1S/C22H11ClO/c23-17-8-3-9-18-21(17)16-11-10-14-13-6-1-4-12-5-2-7-15(19(12)13)20(14)22(16)24-18/h1-11H
InChIKeyJWDAHMOUERFBCG-UHFFFAOYSA-N
MW326.78 g/mol
LogP7.04
Rot. Bonds

About 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene

9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene (PubChem CID 166846548) has the molecular formula C22H11ClO and a molecular weight of 326.78 g/mol. Its IUPAC name is 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene
PubChem CID166846548
Molecular FormulaC22H11ClO
Molecular Weight326.78 g/mol
Exact Mass326.05
IUPAC Name9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene
SMILESClc1cccc2oc3c4c(ccc3c12)-c1cccc2cccc-4c12
InChIInChI=1S/C22H11ClO/c23-17-8-3-9-18-21(17)16-11-10-14-13-6-1-4-12-5-2-7-15(19(12)13)20(14)22(16)24-18/h1-11H
InChIKeyJWDAHMOUERFBCG-UHFFFAOYSA-N
XLogP7.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.78
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene with MolForge

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Related Compounds

4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564981
2-naphthalen-2-yl-4-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166846387
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine
CID 166846399
6-(4-tert-butylphenyl)-1-chlorodibenzofuran
CID 176607720
1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran
CID 175332614
4,4,5,5-tetramethyl-2-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-17-yl)-1,3,2-dioxaborolane
CID 174079232
7-chloro-5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran
CID 167440876
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024
4-(10-phenanthren-4-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265069
4-[4-(6-naphthalen-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N,N-diphenylaniline
CID 170535954
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668

Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene?
The IUPAC name of 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene (CID 166846548) is 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene.
What is the SMILES notation for 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene?
The canonical SMILES for 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene is Clc1cccc2oc3c4c(ccc3c12)-c1cccc2cccc-4c12.
What is the InChIKey of 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene?
The InChIKey is JWDAHMOUERFBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11ClO/c23-17-8-3-9-18-21(17)16-11-10-14-13-6-1-4-12-5-2-7-15(19(12)13)20(14)22(16)24-18/h1-11H.
What are the key properties of 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene?
9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene has a molecular weight of 326.78 g/mol, XLogP of 7.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene is sourced from PubChem (CID 166846548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).