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

C18H17ClO — CID 59769974

IUPAC(2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCOC/C=C1\c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClO/c1-20-11-10-18-16-5-3-2-4-13(16)6-7-14-12-15(19)8-9-17(14)18/h2-5,8-10,12H,6-7,11H2,1H3/b18-10+
InChIKeyPMRJEJDUZNKYLB-VCHYOVAHSA-N
MW284.79 g/mol
LogP4.52
Rot. Bonds2

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

(2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 59769974) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name(2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID59769974
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name(2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCOC/C=C1\c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClO/c1-20-11-10-18-16-5-3-2-4-13(16)6-7-14-12-15(19)8-9-17(14)18/h2-5,8-10,12H,6-7,11H2,1H3/b18-10+
InChIKeyPMRJEJDUZNKYLB-VCHYOVAHSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 59769974) is (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is COC/C=C1\c2ccccc2CCc2cc(Cl)ccc21.
What is the InChIKey of (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is PMRJEJDUZNKYLB-VCHYOVAHSA-N. The full InChI is InChI=1S/C18H17ClO/c1-20-11-10-18-16-5-3-2-4-13(16)6-7-14-12-15(19)8-9-17(14)18/h2-5,8-10,12H,6-7,11H2,1H3/b18-10+.
What are the key properties of (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
(2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 284.79 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-chloro-2-(2-methoxyethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59769974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).