3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one

C20H15ClO2 — CID 3992867

IUPAC3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one
SMILESCC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1
InChIInChI=1S/C20H15ClO2/c1-14(20(22)16-5-3-2-4-6-16)13-18-11-12-19(23-18)15-7-9-17(21)10-8-15/h2-13H,1H3
InChIKeyMNGZASTWDCWGKD-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.89
Rot. Bonds4

About 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one

3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one (PubChem CID 3992867) has the molecular formula C20H15ClO2 and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one
PubChem CID3992867
Molecular FormulaC20H15ClO2
Molecular Weight322.79 g/mol
Exact Mass322.08
IUPAC Name3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one
SMILESCC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1
InChIInChI=1S/C20H15ClO2/c1-14(20(22)16-5-3-2-4-6-16)13-18-11-12-19(23-18)15-7-9-17(21)10-8-15/h2-13H,1H3
InChIKeyMNGZASTWDCWGKD-UHFFFAOYSA-N
XLogP5.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.89
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

2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenylpropane-1,3-dione
CID 3345300
2-azido-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 142691561
3-[5-(4-acetylphenyl)furan-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile
CID 2951942
(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one
CID 70387335
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 796826
4-chloro-N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide
CID 6525173
(Z)-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]but-3-en-2-one;propane-2-thione
CID 142957854
(4E)-2-benzoyl-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-methylpyrazol-3-one
CID 6527707
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
ethyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-methylprop-2-enoate
CID 104503771
(E)-3-[5-(4-chlorophenyl)furan-2-yl]but-2-enoic acid
CID 82543970
(E)-N-(2-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 18863503

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one (CID 3992867) is 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one is CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one?
The InChIKey is MNGZASTWDCWGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO2/c1-14(20(22)16-5-3-2-4-6-16)13-18-11-12-19(23-18)15-7-9-17(21)10-8-15/h2-13H,1H3.
What are the key properties of 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one?
3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one has a molecular weight of 322.79 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one is sourced from PubChem (CID 3992867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).