(6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one

C19H15ClO — CID 23267733

IUPAC(6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)CC2CC2c2ccccc21
InChIInChI=1S/C19H15ClO/c20-15-7-5-12(6-8-15)9-14-10-13-11-18(13)16-3-1-2-4-17(16)19(14)21/h1-9,13,18H,10-11H2/b14-9+
InChIKeyHUHUNDZQOWMIEB-NTEUORMPSA-N
MW294.78 g/mol
LogP5.11
Rot. Bonds1

About (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one

(6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one (PubChem CID 23267733) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one.

Molecular Properties

Compound Name(6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one
PubChem CID23267733
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name(6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)CC2CC2c2ccccc21
InChIInChI=1S/C19H15ClO/c20-15-7-5-12(6-8-15)9-14-10-13-11-18(13)16-3-1-2-4-17(16)19(14)21/h1-9,13,18H,10-11H2/b14-9+
InChIKeyHUHUNDZQOWMIEB-NTEUORMPSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.78
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one?
The IUPAC name of (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one (CID 23267733) is (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one.
What is the SMILES notation for (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one?
The canonical SMILES for (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one is O=C1/C(=C/c2ccc(Cl)cc2)CC2CC2c2ccccc21.
What is the InChIKey of (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one?
The InChIKey is HUHUNDZQOWMIEB-NTEUORMPSA-N. The full InChI is InChI=1S/C19H15ClO/c20-15-7-5-12(6-8-15)9-14-10-13-11-18(13)16-3-1-2-4-17(16)19(14)21/h1-9,13,18H,10-11H2/b14-9+.
What are the key properties of (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one?
(6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one has a molecular weight of 294.78 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one is sourced from PubChem (CID 23267733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).