(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C23H19Cl — CID 58613380

IUPAC(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCc1cccc2c1CCc1ccccc1/C2=C/c1cccc(Cl)c1
InChIInChI=1S/C23H19Cl/c1-16-6-4-11-22-20(16)13-12-18-8-2-3-10-21(18)23(22)15-17-7-5-9-19(24)14-17/h2-11,14-15H,12-13H2,1H3/b23-15-
InChIKeyKFKHBHYFRZMUBK-HAHDFKILSA-N
MW330.86 g/mol
LogP6.34
Rot. Bonds1

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

(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 58613380) has the molecular formula C23H19Cl and a molecular weight of 330.86 g/mol. Its IUPAC name is (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID58613380
Molecular FormulaC23H19Cl
Molecular Weight330.86 g/mol
Exact Mass330.12
IUPAC Name(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCc1cccc2c1CCc1ccccc1/C2=C/c1cccc(Cl)c1
InChIInChI=1S/C23H19Cl/c1-16-6-4-11-22-20(16)13-12-18-8-2-3-10-21(18)23(22)15-17-7-5-9-19(24)14-17/h2-11,14-15H,12-13H2,1H3/b23-15-
InChIKeyKFKHBHYFRZMUBK-HAHDFKILSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)methylidene]-7,12-difluorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 58613368
3-[(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68942661
(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59770046
2-[(3-methylsulfanylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770332
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
2-[(2-methylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59769953
2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde
CID 72556924
(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran
CID 134982021
2-[[3-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770023
4-[(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68937460
5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]-1H-pyrazole
CID 59770140
4-chloro-N-[3-[(Z)-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]benzenesulfonamide
CID 59770556

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 58613380) is (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is Cc1cccc2c1CCc1ccccc1/C2=C/c1cccc(Cl)c1.
What is the InChIKey of (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is KFKHBHYFRZMUBK-HAHDFKILSA-N. The full InChI is InChI=1S/C23H19Cl/c1-16-6-4-11-22-20(16)13-12-18-8-2-3-10-21(18)23(22)15-17-7-5-9-19(24)14-17/h2-11,14-15H,12-13H2,1H3/b23-15-.
What are the key properties of (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 330.86 g/mol, XLogP of 6.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 58613380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).