(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal

C12H14O3 — CID 46183091

IUPAC(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
SMILESCCO/C(C=O)=C\c1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-3-15-12(9-13)8-10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3/b12-8-
InChIKeyOISHBRQNBUDXPK-WQLSENKSSA-N
MW206.24 g/mol
LogP2.27
Rot. Bonds5

About (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal

(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal (PubChem CID 46183091) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
PubChem CID46183091
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
SMILESCCO/C(C=O)=C\c1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-3-15-12(9-13)8-10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3/b12-8-
InChIKeyOISHBRQNBUDXPK-WQLSENKSSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
ethyl (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 6019202
ethyl (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 5388605
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
CID 102460095
ethyl (Z)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 101204979
2-[(4-methoxyphenyl)methylidene]butan-1-amine
CID 79321876
ethyl (Z)-2-azido-3-(4-methoxyphenyl)prop-2-enoate
CID 15445354
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal?
The IUPAC name of (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal (CID 46183091) is (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal.
What is the SMILES notation for (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal?
The canonical SMILES for (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal is CCO/C(C=O)=C\c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal?
The InChIKey is OISHBRQNBUDXPK-WQLSENKSSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-15-12(9-13)8-10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3/b12-8-.
What are the key properties of (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal?
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal has a molecular weight of 206.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal is sourced from PubChem (CID 46183091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).