4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde

C15H16O3 — CID 142940624

IUPAC4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde
SMILESC=C/C=C(\C=C)COc1ccc(C=O)cc1OC
InChIInChI=1S/C15H16O3/c1-4-6-12(5-2)11-18-14-8-7-13(10-16)9-15(14)17-3/h4-10H,1-2,11H2,3H3/b12-6+
InChIKeySKVBJHAHRUZYMV-WUXMJOGZSA-N
MW244.29 g/mol
LogP3.18
Rot. Bonds7

About 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde

4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde (PubChem CID 142940624) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde
PubChem CID142940624
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde
SMILESC=C/C=C(\C=C)COc1ccc(C=O)cc1OC
InChIInChI=1S/C15H16O3/c1-4-6-12(5-2)11-18-14-8-7-13(10-16)9-15(14)17-3/h4-10H,1-2,11H2,3H3/b12-6+
InChIKeySKVBJHAHRUZYMV-WUXMJOGZSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde 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

methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde (CID 142940624) is 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde is C=C/C=C(\C=C)COc1ccc(C=O)cc1OC.
What is the InChIKey of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde?
The InChIKey is SKVBJHAHRUZYMV-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H16O3/c1-4-6-12(5-2)11-18-14-8-7-13(10-16)9-15(14)17-3/h4-10H,1-2,11H2,3H3/b12-6+.
What are the key properties of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde?
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde has a molecular weight of 244.29 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 142940624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).