9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one

C23H11ClO2 — CID 146209783

IUPAC9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one
SMILESO=C1c2cc(Cl)c3ccccc3c2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C23H11ClO2/c24-18-11-17-20(14-7-2-1-5-12(14)18)21-16(22(17)25)10-9-15-13-6-3-4-8-19(13)26-23(15)21/h1-11H
InChIKeyJGTYKEMYDHLANW-UHFFFAOYSA-N
MW354.79 g/mol
LogP6.60
Rot. Bonds

About 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one

9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one (PubChem CID 146209783) has the molecular formula C23H11ClO2 and a molecular weight of 354.79 g/mol. Its IUPAC name is 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one.

Molecular Properties

Compound Name9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one
PubChem CID146209783
Molecular FormulaC23H11ClO2
Molecular Weight354.79 g/mol
Exact Mass354.04
IUPAC Name9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one
SMILESO=C1c2cc(Cl)c3ccccc3c2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C23H11ClO2/c24-18-11-17-20(14-7-2-1-5-12(14)18)21-16(22(17)25)10-9-15-13-6-3-4-8-19(13)26-23(15)21/h1-11H
InChIKeyJGTYKEMYDHLANW-UHFFFAOYSA-N
XLogP6.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.79
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one with MolForge

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Related Compounds

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CID 163580167
4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde
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6,24-diamino-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,19(27),20(25),21,23-dodecaen-15-one
CID 163616771
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
4-anthracen-9-yldibenzofuran
CID 167187282
CID 131879231
CID 131879231
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
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
9,15-dichlorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,1'-cyclopentane]
CID 129193378
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185420
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
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Frequently Asked Questions

What is the IUPAC name of 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one?
The IUPAC name of 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one (CID 146209783) is 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one.
What is the SMILES notation for 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one?
The canonical SMILES for 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one is O=C1c2cc(Cl)c3ccccc3c2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one?
The InChIKey is JGTYKEMYDHLANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H11ClO2/c24-18-11-17-20(14-7-2-1-5-12(14)18)21-16(22(17)25)10-9-15-13-6-3-4-8-19(13)26-23(15)21/h1-11H.
What are the key properties of 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one?
9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one has a molecular weight of 354.79 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one is sourced from PubChem (CID 146209783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).