(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde

C14H16O4 — CID 50905644

IUPAC(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde
SMILESCOc1cc(/C=C2/CC2C=O)cc(OC)c1OC
InChIInChI=1S/C14H16O4/c1-16-12-5-9(4-10-7-11(10)8-15)6-13(17-2)14(12)18-3/h4-6,8,11H,7H2,1-3H3/b10-4-
InChIKeyCJFGPYQYLHZJGR-WMZJFQQLSA-N
MW248.28 g/mol
LogP2.31
Rot. Bonds5

About (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde

(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde (PubChem CID 50905644) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde
PubChem CID50905644
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde
SMILESCOc1cc(/C=C2/CC2C=O)cc(OC)c1OC
InChIInChI=1S/C14H16O4/c1-16-12-5-9(4-10-7-11(10)8-15)6-13(17-2)14(12)18-3/h4-6,8,11H,7H2,1-3H3/b10-4-
InChIKeyCJFGPYQYLHZJGR-WMZJFQQLSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
CID 6024938
(3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydropyridin-4-one
CID 162673644
(3E,5Z)-1,1-dioxo-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]thian-4-one
CID 118707694
(1R,2E,4E,5R)-8-methyl-2,4-bis[(3,4,5-trimethoxyphenyl)methylidene]-8-azabicyclo[3.2.1]octan-3-one
CID 98185570
5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3100428
(2E,3R,6Z)-3-methyl-2,6-bis[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one
CID 92858091
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2796872
(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde
CID 162352401
(4E)-2-cyclobutyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894594
[(3E,5E)-4-oxo-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-1-yl]phosphonic acid
CID 52947975

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde?
The IUPAC name of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde (CID 50905644) is (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde.
What is the SMILES notation for (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde?
The canonical SMILES for (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde is COc1cc(/C=C2/CC2C=O)cc(OC)c1OC.
What is the InChIKey of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde?
The InChIKey is CJFGPYQYLHZJGR-WMZJFQQLSA-N. The full InChI is InChI=1S/C14H16O4/c1-16-12-5-9(4-10-7-11(10)8-15)6-13(17-2)14(12)18-3/h4-6,8,11H,7H2,1-3H3/b10-4-.
What are the key properties of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde?
(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde has a molecular weight of 248.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 50905644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).