(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one

C26H26O3 — CID 7946721

IUPAC(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCCCCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC
InChIInChI=1S/C26H26O3/c1-3-4-18-29-26-19-20(11-17-25(26)28-2)10-16-24(27)23-14-12-22(13-15-23)21-8-6-5-7-9-21/h5-17,19H,3-4,18H2,1-2H3/b16-10+
InChIKeyMSFKAKAPKPTGOK-MHWRWJLKSA-N
MW386.49 g/mol
LogP6.44
Rot. Bonds9

About (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one

(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 7946721) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID7946721
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCCCCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC
InChIInChI=1S/C26H26O3/c1-3-4-18-29-26-19-20(11-17-25(26)28-2)10-16-24(27)23-14-12-22(13-15-23)21-8-6-5-7-9-21/h5-17,19H,3-4,18H2,1-2H3/b16-10+
InChIKeyMSFKAKAPKPTGOK-MHWRWJLKSA-N
XLogP6.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)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

(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 16555480
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
2-[[5-[(E)-3-(3-butoxy-4-methoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid
CID 16564086
4-[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 6215119
[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 4-heptoxybenzoate
CID 102109066
(E)-3-(3-butoxy-4-methoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one
CID 89411428
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
[2-methoxy-4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 2-methoxybenzoate
CID 6125226
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 55768978
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one (CID 7946721) is (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one is CCCCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC.
What is the InChIKey of (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is MSFKAKAPKPTGOK-MHWRWJLKSA-N. The full InChI is InChI=1S/C26H26O3/c1-3-4-18-29-26-19-20(11-17-25(26)28-2)10-16-24(27)23-14-12-22(13-15-23)21-8-6-5-7-9-21/h5-17,19H,3-4,18H2,1-2H3/b16-10+.
What are the key properties of (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 386.49 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 7946721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).