(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one

C19H12Cl2O2 — CID 5342442

IUPAC(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C19H12Cl2O2/c20-14-6-9-17(21)16(12-14)19-11-8-15(23-19)7-10-18(22)13-4-2-1-3-5-13/h1-12H/b10-7-
InChIKeyDFVWAEMSSLABBF-YFHOEESVSA-N
MW343.21 g/mol
LogP6.15
Rot. Bonds4

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

(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one (PubChem CID 5342442) has the molecular formula C19H12Cl2O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
PubChem CID5342442
Molecular FormulaC19H12Cl2O2
Molecular Weight343.21 g/mol
Exact Mass342.02
IUPAC Name(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C19H12Cl2O2/c20-14-6-9-17(21)16(12-14)19-11-8-15(23-19)7-10-18(22)13-4-2-1-3-5-13/h1-12H/b10-7-
InChIKeyDFVWAEMSSLABBF-YFHOEESVSA-N
XLogP6.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 56.15
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-(2,5-dichlorophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one
CID 4736214
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736219
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 3283792
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 4022305
3-[5-(2,4,5-trichlorophenyl)furan-2-yl]prop-2-enoic acid
CID 53401800
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 7430807
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
N'-[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide
CID 6290779
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 3124816

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one (CID 5342442) is (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is O=C(/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1.
What is the InChIKey of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
The InChIKey is DFVWAEMSSLABBF-YFHOEESVSA-N. The full InChI is InChI=1S/C19H12Cl2O2/c20-14-6-9-17(21)16(12-14)19-11-8-15(23-19)7-10-18(22)13-4-2-1-3-5-13/h1-12H/b10-7-.
What are the key properties of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one has a molecular weight of 343.21 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5342442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).