9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene

C16H13ClO — CID 10912160

IUPAC9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
SMILESCOC1C(Cl)=Cc2ccccc2-c2ccccc21
InChIInChI=1S/C16H13ClO/c1-18-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15(16)17/h2-10,16H,1H3
InChIKeyJLWORYOZUPJOJI-UHFFFAOYSA-N
MW256.73 g/mol
LogP4.63
Rot. Bonds1

About 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene

9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene (PubChem CID 10912160) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene.

Molecular Properties

Compound Name9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
PubChem CID10912160
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
SMILESCOC1C(Cl)=Cc2ccccc2-c2ccccc21
InChIInChI=1S/C16H13ClO/c1-18-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15(16)17/h2-10,16H,1H3
InChIKeyJLWORYOZUPJOJI-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene with MolForge

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Related Compounds

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CID 151729793
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CID 169197924
10-methoxy-5,10-dihydroindeno[1,2-b]indole
CID 15133177
lithium 9-ethyl-9H-fluorene
CID 23225742
9-methoxy-1-phenyl-9H-thioxanthene
CID 91278468
ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene
CID 161054338
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
9-pentoxy-9H-fluorene
CID 175299691
1-ethyl-2-methyl-1H-indene
CID 12910549
chloro-(9H-fluoren-9-yl)-methylsilane
CID 91867940
1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine
CID 146385208
9-deuterio-9-methylfluorene
CID 169301704

Frequently Asked Questions

What is the IUPAC name of 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
The IUPAC name of 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene (CID 10912160) is 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene.
What is the SMILES notation for 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
The canonical SMILES for 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene is COC1C(Cl)=Cc2ccccc2-c2ccccc21.
What is the InChIKey of 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
The InChIKey is JLWORYOZUPJOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO/c1-18-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15(16)17/h2-10,16H,1H3.
What are the key properties of 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene has a molecular weight of 256.73 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-10-methoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene is sourced from PubChem (CID 10912160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).