(E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one

C26H32O4 — CID 18178560

IUPAC(E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one
SMILESC=C(C)Oc1ccc(C(=O)/C=C/c2ccc(OCCCC)cc2OCCCC)cc1
InChIInChI=1S/C26H32O4/c1-5-7-17-28-24-15-11-22(26(19-24)29-18-8-6-2)12-16-25(27)21-9-13-23(14-10-21)30-20(3)4/h9-16,19H,3,5-8,17-18H2,1-2,4H3/b16-12+
InChIKeyXVCHXHGDBSHKNT-FOWTUZBSSA-N
MW408.54 g/mol
LogP6.85
Rot. Bonds13

About (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one

(E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one (PubChem CID 18178560) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one
PubChem CID18178560
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name(E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one
SMILESC=C(C)Oc1ccc(C(=O)/C=C/c2ccc(OCCCC)cc2OCCCC)cc1
InChIInChI=1S/C26H32O4/c1-5-7-17-28-24-15-11-22(26(19-24)29-18-8-6-2)12-16-25(27)21-9-13-23(14-10-21)30-20(3)4/h9-16,19H,3,5-8,17-18H2,1-2,4H3/b16-12+
InChIKeyXVCHXHGDBSHKNT-FOWTUZBSSA-N
XLogP6.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one 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

3-(3,5-dibutoxy-2-methylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 54442956
(E)-3-(2,6-diethoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one
CID 70015039
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,4-dipropoxyphenyl)prop-2-en-1-one
CID 3928176
(E)-3-(2-butoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one
CID 19824737
3-(2-but-3-enoxy-4-propoxyphenyl)prop-2-enoic acid
CID 77034133
3-(2,5-dibutoxyphenyl)-1-(2,3,5,6-tetrabutoxyphenyl)prop-2-en-1-one
CID 91579414
[4-[(E)-3-(4-heptoxyphenyl)prop-2-enoyl]phenyl] (E)-3-(4-octadecoxyphenyl)prop-2-enoate
CID 132513116
(E)-3-[2-(2-fluoroethoxy)-4-propoxyphenyl]prop-2-enoic acid
CID 80694777
(E)-1-(4-hexadecoxyphenyl)-3-(4-tetradecoxyphenyl)prop-2-en-1-one
CID 132575724
[3-acetyloxy-4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 71324556
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54513163
[4-[(E)-3-(4-octoxyphenyl)prop-2-enoyl]phenyl] 4-tetradecoxybenzoate
CID 177385649

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one (CID 18178560) is (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one is C=C(C)Oc1ccc(C(=O)/C=C/c2ccc(OCCCC)cc2OCCCC)cc1.
What is the InChIKey of (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one?
The InChIKey is XVCHXHGDBSHKNT-FOWTUZBSSA-N. The full InChI is InChI=1S/C26H32O4/c1-5-7-17-28-24-15-11-22(26(19-24)29-18-8-6-2)12-16-25(27)21-9-13-23(14-10-21)30-20(3)4/h9-16,19H,3,5-8,17-18H2,1-2,4H3/b16-12+.
What are the key properties of (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one?
(E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one has a molecular weight of 408.54 g/mol, XLogP of 6.85, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dibutoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 18178560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).