6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

C16H15Cl — CID 142258016

IUPAC6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCC1c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C16H15Cl/c1-11-15-5-3-2-4-12(15)6-7-13-10-14(17)8-9-16(11)13/h2-5,8-11H,6-7H2,1H3
InChIKeyZMKBEKINQPFHGF-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.59
Rot. Bonds

About 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 142258016) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID142258016
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCC1c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C16H15Cl/c1-11-15-5-3-2-4-12(15)6-7-13-10-14(17)8-9-16(11)13/h2-5,8-11H,6-7H2,1H3
InChIKeyZMKBEKINQPFHGF-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
CID 102268560
8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine
CID 163239944
3,8,9-trichloro-7,12-dimethyl-5,6,11,12-tetrahydrobenzo[10]annulene
CID 123268998
6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115057058
8-chloro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine-4-carbonitrile
CID 70370274
5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane
CID 159657178
13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
CID 10490611
3-[3-[(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]phenyl]-1,1-dimethylurea
CID 70999136
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
1-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,1-dimethylazetidin-1-ium-3-amine
CID 90475714
(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
CID 71027763
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 142258016) is 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is CC1c2ccccc2CCc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is ZMKBEKINQPFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl/c1-11-15-5-3-2-4-12(15)6-7-13-10-14(17)8-9-16(11)13/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 242.75 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 142258016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).