(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one

C25H23ClO2 — CID 16649181

IUPAC(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H23ClO2/c26-22-12-10-21(11-13-22)25-17-15-23(28-25)14-16-24(27)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-18H,1-5H2/b16-14+
InChIKeySXCLTKFGJCJHMM-JQIJEIRASA-N
MW390.91 g/mol
LogP7.54
Rot. Bonds5

About (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one

(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one (PubChem CID 16649181) has the molecular formula C25H23ClO2 and a molecular weight of 390.91 g/mol. Its IUPAC name is (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one
PubChem CID16649181
Molecular FormulaC25H23ClO2
Molecular Weight390.91 g/mol
Exact Mass390.14
IUPAC Name(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H23ClO2/c26-22-12-10-21(11-13-22)25-17-15-23(28-25)14-16-24(27)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-18H,1-5H2/b16-14+
InChIKeySXCLTKFGJCJHMM-JQIJEIRASA-N
XLogP7.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 2873345
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one
CID 23508869
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
CID 6065755
4-[5-(2-carboxyethenyl)furan-2-yl]benzoic acid
CID 171146640
ethyl 4-[5-[3-(4-methylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 4736125
(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1472918
2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid
CID 82368596
2-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 4749941
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
(E)-3-(3-chloro-4-methoxyphenyl)-1-(4-cyclohexylphenyl)prop-2-en-1-one
CID 6054637

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one (CID 16649181) is (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one?
The InChIKey is SXCLTKFGJCJHMM-JQIJEIRASA-N. The full InChI is InChI=1S/C25H23ClO2/c26-22-12-10-21(11-13-22)25-17-15-23(28-25)14-16-24(27)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-18H,1-5H2/b16-14+.
What are the key properties of (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one?
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one has a molecular weight of 390.91 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one is sourced from PubChem (CID 16649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).