(E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one

C23H26O3 — CID 10784069

IUPAC(E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1
InChIInChI=1S/C23H26O3/c1-25-21-14-17(15-22(16-21)26-2)8-13-23(24)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3/b13-8+
InChIKeyZEHCLYADSQALSP-MDWZMJQESA-N
MW350.46 g/mol
LogP5.65
Rot. Bonds6

About (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one

(E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one (PubChem CID 10784069) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
PubChem CID10784069
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name(E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1
InChIInChI=1S/C23H26O3/c1-25-21-14-17(15-22(16-21)26-2)8-13-23(24)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3/b13-8+
InChIKeyZEHCLYADSQALSP-MDWZMJQESA-N
XLogP5.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one (CID 10784069) is (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one is COc1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1.
What is the InChIKey of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The InChIKey is ZEHCLYADSQALSP-MDWZMJQESA-N. The full InChI is InChI=1S/C23H26O3/c1-25-21-14-17(15-22(16-21)26-2)8-13-23(24)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3/b13-8+.
What are the key properties of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
(E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one has a molecular weight of 350.46 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-cyclohexylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10784069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).