tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride

C16H15Cl — CID 158531622

IUPACtetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
SMILESCl.c1ccc2c(c1)C1CCC2c2ccccc21
InChIInChI=1S/C16H14.ClH/c1-2-6-12-11(5-1)15-9-10-16(12)14-8-4-3-7-13(14)15;/h1-8,15-16H,9-10H2;1H
InChIKeyHNLDLXIFIYYXTE-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.48
Rot. Bonds

About tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride

tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride (PubChem CID 158531622) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride.

Molecular Properties

Compound Nametetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
PubChem CID158531622
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Nametetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
SMILESCl.c1ccc2c(c1)C1CCC2c2ccccc21
InChIInChI=1S/C16H14.ClH/c1-2-6-12-11(5-1)15-9-10-16(12)14-8-4-3-7-13(14)15;/h1-8,15-16H,9-10H2;1H
InChIKeyHNLDLXIFIYYXTE-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride with MolForge

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Related Compounds

(1S,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dione
CID 98163918
tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine
CID 18931735
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 175666140
undecacyclo[26.10.2.29,20.02,27.04,25.06,23.08,21.010,19.012,17.029,38.031,36]dotetraconta-2(27),3,5,7,10,12,14,16,18,21,23,25,29,31,33,35,37-heptadecaene
CID 58625358
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
(1S,8S)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one
CID 124539739
(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54587686
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
(4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54133361
(1S,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54581800

Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride?
The IUPAC name of tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride (CID 158531622) is tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride.
What is the SMILES notation for tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride?
The canonical SMILES for tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride is Cl.c1ccc2c(c1)C1CCC2c2ccccc21.
What is the InChIKey of tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride?
The InChIKey is HNLDLXIFIYYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.ClH/c1-2-6-12-11(5-1)15-9-10-16(12)14-8-4-3-7-13(14)15;/h1-8,15-16H,9-10H2;1H.
What are the key properties of tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride?
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride is sourced from PubChem (CID 158531622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).