(6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one

C16H18O4 — CID 162643817

IUPAC(6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one
SMILESCOc1cc(OC)c(/C=C2\CCC=CC2=O)c(OC)c1
InChIInChI=1S/C16H18O4/c1-18-12-9-15(19-2)13(16(10-12)20-3)8-11-6-4-5-7-14(11)17/h5,7-10H,4,6H2,1-3H3/b11-8+
InChIKeyIEMPIFUPMLYFLS-DHZHZOJOSA-N
MW274.32 g/mol
LogP3.01
Rot. Bonds4

About (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one

(6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one (PubChem CID 162643817) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one
PubChem CID162643817
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name(6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one
SMILESCOc1cc(OC)c(/C=C2\CCC=CC2=O)c(OC)c1
InChIInChI=1S/C16H18O4/c1-18-12-9-15(19-2)13(16(10-12)20-3)8-11-6-4-5-7-14(11)17/h5,7-10H,4,6H2,1-3H3/b11-8+
InChIKeyIEMPIFUPMLYFLS-DHZHZOJOSA-N
XLogP3.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,5E)-2,5-bis[(2,4,6-trimethoxyphenyl)methylidene]cyclopentan-1-one
CID 46886189
(6E)-6-[[4-[4-[(E)-(2-oxocyclohex-3-en-1-ylidene)methyl]phenoxy]phenyl]methylidene]cyclohex-2-en-1-one
CID 171354653
CID 101022784
CID 101022784
(4E)-3-methyl-4-[(2,4,6-trimethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 177461741
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5416199
(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
CID 163366457
lithium 2-methanidyl-4,6-dimethoxybenzaldehyde
CID 10103889
2,5-bis[(2,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 1069394
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
(2-formyl-3,5-dimethoxyphenyl)boronic acid
CID 74890628
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one?
The IUPAC name of (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one (CID 162643817) is (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one.
What is the SMILES notation for (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one?
The canonical SMILES for (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one is COc1cc(OC)c(/C=C2\CCC=CC2=O)c(OC)c1.
What is the InChIKey of (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one?
The InChIKey is IEMPIFUPMLYFLS-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H18O4/c1-18-12-9-15(19-2)13(16(10-12)20-3)8-11-6-4-5-7-14(11)17/h5,7-10H,4,6H2,1-3H3/b11-8+.
What are the key properties of (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one?
(6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one has a molecular weight of 274.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(2,4,6-trimethoxyphenyl)methylidene]cyclohex-2-en-1-one is sourced from PubChem (CID 162643817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).