1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one

C17H10Cl2O3 — CID 75921748

IUPAC1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(O)c(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H10Cl2O3/c18-12-3-6-16-11(8-12)9-17(22-16)15(21)5-2-10-1-4-14(20)13(19)7-10/h1-9,20H
InChIKeyZCJVBTLIPXZNCM-UHFFFAOYSA-N
MW333.17 g/mol
LogP5.34
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one

1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 75921748) has the molecular formula C17H10Cl2O3 and a molecular weight of 333.17 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one
PubChem CID75921748
Molecular FormulaC17H10Cl2O3
Molecular Weight333.17 g/mol
Exact Mass332.00
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(O)c(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H10Cl2O3/c18-12-3-6-16-11(8-12)9-17(22-16)15(21)5-2-10-1-4-14(20)13(19)7-10/h1-9,20H
InChIKeyZCJVBTLIPXZNCM-UHFFFAOYSA-N
XLogP5.34
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.17
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-1-benzofuran-2-yl)-4-oxobut-2-enoic acid
CID 131881356
(E)-1-(1-benzofuran-2-yl)-3-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 11587472
(E)-1-(5-chloro-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 27105737
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]chromen-2-one
CID 6266245
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-en-1-one
CID 6019404
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(3-methyl-1-benzofuran-2-yl)prop-2-en-1-one
CID 60593522
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one (CID 75921748) is 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one is O=C(C=Cc1ccc(O)c(Cl)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is ZCJVBTLIPXZNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O3/c18-12-3-6-16-11(8-12)9-17(22-16)15(21)5-2-10-1-4-14(20)13(19)7-10/h1-9,20H.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one?
1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 333.17 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-3-(3-chloro-4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 75921748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).