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

C17H15ClO — CID 59770261

IUPAC(2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol
SMILESOC/C=C1\c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClO/c18-14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)17(16)9-10-19/h1-4,7-9,11,19H,5-6,10H2/b17-9+
InChIKeySDJLNHWKYUANEZ-RQZCQDPDSA-N
MW270.76 g/mol
LogP3.86
Rot. Bonds1

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

(2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol (PubChem CID 59770261) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol
PubChem CID59770261
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name(2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol
SMILESOC/C=C1\c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClO/c18-14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)17(16)9-10-19/h1-4,7-9,11,19H,5-6,10H2/b17-9+
InChIKeySDJLNHWKYUANEZ-RQZCQDPDSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol?
The IUPAC name of (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol (CID 59770261) is (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol.
What is the SMILES notation for (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol?
The canonical SMILES for (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol is OC/C=C1\c2ccccc2CCc2cc(Cl)ccc21.
What is the InChIKey of (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol?
The InChIKey is SDJLNHWKYUANEZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C17H15ClO/c18-14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)17(16)9-10-19/h1-4,7-9,11,19H,5-6,10H2/b17-9+.
What are the key properties of (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol?
(2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol has a molecular weight of 270.76 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)ethanol is sourced from PubChem (CID 59770261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).