9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C16H15Cl — CID 154149942

IUPAC9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC1c2ccccc2CC(Cl)c2ccccc21
InChIInChI=1S/C16H15Cl/c1-11-13-7-3-2-6-12(13)10-16(17)15-9-5-4-8-14(11)15/h2-9,11,16H,10H2,1H3
InChIKeyQKKGXXPAYQUYPJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.67
Rot. Bonds

About 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 154149942) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID154149942
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC1c2ccccc2CC(Cl)c2ccccc21
InChIInChI=1S/C16H15Cl/c1-11-13-7-3-2-6-12(13)10-16(17)15-9-5-4-8-14(11)15/h2-9,11,16H,10H2,1H3
InChIKeyQKKGXXPAYQUYPJ-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene with MolForge

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Related Compounds

dimethyl-[2-[(2S,9S)-2-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]ethyl]azanium
CID 6992644
N,N-dimethyl-2-[(2R,9S)-2-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]ethanamine
CID 6992647
(5R)-5-chloro-5,6-dihydrobenzo[b][1]benzothiepine
CID 86310640
6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 142258016
1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride
CID 164654698
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
2-chloro-2,3-dihydro-1H-inden-1-amine
CID 2794190
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 154149942) is 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is CC1c2ccccc2CC(Cl)c2ccccc21.
What is the InChIKey of 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is QKKGXXPAYQUYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl/c1-11-13-7-3-2-6-12(13)10-16(17)15-9-5-4-8-14(11)15/h2-9,11,16H,10H2,1H3.
What are the key properties of 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 242.75 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 154149942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).