(E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one

C23H26O — CID 89126413

IUPAC(E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one
SMILESCCc1cccc(C2CCC(C(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H26O/c1-2-18-9-6-10-22(17-18)20-12-14-21(15-13-20)23(24)16-11-19-7-4-3-5-8-19/h3-11,16-17,20-21H,2,12-15H2,1H3/b16-11+
InChIKeyHGEFDIHWHOXZRT-LFIBNONCSA-N
MW318.46 g/mol
LogP5.81
Rot. Bonds5

About (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one

(E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one (PubChem CID 89126413) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one
PubChem CID89126413
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name(E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one
SMILESCCc1cccc(C2CCC(C(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H26O/c1-2-18-9-6-10-22(17-18)20-12-14-21(15-13-20)23(24)16-11-19-7-4-3-5-8-19/h3-11,16-17,20-21H,2,12-15H2,1H3/b16-11+
InChIKeyHGEFDIHWHOXZRT-LFIBNONCSA-N
XLogP5.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one (CID 89126413) is (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one is CCc1cccc(C2CCC(C(=O)/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one?
The InChIKey is HGEFDIHWHOXZRT-LFIBNONCSA-N. The full InChI is InChI=1S/C23H26O/c1-2-18-9-6-10-22(17-18)20-12-14-21(15-13-20)23(24)16-11-19-7-4-3-5-8-19/h3-11,16-17,20-21H,2,12-15H2,1H3/b16-11+.
What are the key properties of (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one?
(E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one has a molecular weight of 318.46 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(3-ethylphenyl)cyclohexyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 89126413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).