3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one

C23H14Cl2O2 — CID 4022305

IUPAC3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1
InChIInChI=1S/C23H14Cl2O2/c24-20-7-3-6-19(23(20)25)22-13-11-18(27-22)10-12-21(26)17-9-8-15-4-1-2-5-16(15)14-17/h1-14H
InChIKeyJLODBLUMNHZMOL-UHFFFAOYSA-N
MW393.27 g/mol
LogP7.30
Rot. Bonds4

About 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one

3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 4022305) has the molecular formula C23H14Cl2O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID4022305
Molecular FormulaC23H14Cl2O2
Molecular Weight393.27 g/mol
Exact Mass392.04
IUPAC Name3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1
InChIInChI=1S/C23H14Cl2O2/c24-20-7-3-6-19(23(20)25)22-13-11-18(27-22)10-12-21(26)17-9-8-15-4-1-2-5-16(15)14-17/h1-14H
InChIKeyJLODBLUMNHZMOL-UHFFFAOYSA-N
XLogP7.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 57.30
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

3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 3124816
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4528607
(E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561222
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
4-[5-[3-[5-(2,3-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 4710043
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 6281613
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602506
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(pyrrolidine-1-carbothioyl)prop-2-enamide
CID 3507107
(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 132591100
N-[4-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17319117
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one (CID 4022305) is 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one is O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1.
What is the InChIKey of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is JLODBLUMNHZMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2O2/c24-20-7-3-6-19(23(20)25)22-13-11-18(27-22)10-12-21(26)17-9-8-15-4-1-2-5-16(15)14-17/h1-14H.
What are the key properties of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 393.27 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 4022305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).