(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal

C15H20O2 — CID 15864632

IUPAC(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal
SMILESCC/C(C=O)=C\C(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H20O2/c1-4-12(11-16)10-13(5-2)14-6-8-15(17-3)9-7-14/h6-11,13H,4-5H2,1-3H3/b12-10+
InChIKeyWMKPDTYCBVRTDX-ZRDIBKRKSA-N
MW232.32 g/mol
LogP3.72
Rot. Bonds6

About (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal

(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal (PubChem CID 15864632) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal.

Molecular Properties

Compound Name(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal
PubChem CID15864632
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal
SMILESCC/C(C=O)=C\C(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H20O2/c1-4-12(11-16)10-13(5-2)14-6-8-15(17-3)9-7-14/h6-11,13H,4-5H2,1-3H3/b12-10+
InChIKeyWMKPDTYCBVRTDX-ZRDIBKRKSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
tert-butyl N-[2-(4-methoxyphenyl)-3-oxopropyl]carbamate
CID 84730391
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
ethyl (Z,4S)-2-(4-methoxyanilino)-4-(4-nitrophenyl)hex-2-enoate
CID 101460530
(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563622
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
(4S)-5,5,5-trifluoro-4-(4-methoxyphenyl)pentan-2-one
CID 125476618

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal?
The IUPAC name of (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal (CID 15864632) is (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal.
What is the SMILES notation for (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal?
The canonical SMILES for (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal is CC/C(C=O)=C\C(CC)c1ccc(OC)cc1.
What is the InChIKey of (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal?
The InChIKey is WMKPDTYCBVRTDX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-12(11-16)10-13(5-2)14-6-8-15(17-3)9-7-14/h6-11,13H,4-5H2,1-3H3/b12-10+.
What are the key properties of (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal?
(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal has a molecular weight of 232.32 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal is sourced from PubChem (CID 15864632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).