(2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol

C15H10Cl2O2 — CID 177451465

IUPAC(2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol
SMILESOC1/C(=C\c2ccccc2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H10Cl2O2/c16-10-7-11-14(18)13(19-15(11)12(17)8-10)6-9-4-2-1-3-5-9/h1-8,14,18H/b13-6+
InChIKeySWYNNJMYXAGWPD-AWNIVKPZSA-N
MW293.15 g/mol
LogP4.46
Rot. Bonds1

About (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol

(2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol (PubChem CID 177451465) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol
PubChem CID177451465
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name(2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol
SMILESOC1/C(=C\c2ccccc2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H10Cl2O2/c16-10-7-11-14(18)13(19-15(11)12(17)8-10)6-9-4-2-1-3-5-9/h1-8,14,18H/b13-6+
InChIKeySWYNNJMYXAGWPD-AWNIVKPZSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol?
The IUPAC name of (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol (CID 177451465) is (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol.
What is the SMILES notation for (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol?
The canonical SMILES for (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol is OC1/C(=C\c2ccccc2)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol?
The InChIKey is SWYNNJMYXAGWPD-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-10-7-11-14(18)13(19-15(11)12(17)8-10)6-9-4-2-1-3-5-9/h1-8,14,18H/b13-6+.
What are the key properties of (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol?
(2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol has a molecular weight of 293.15 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-5,7-dichloro-3H-1-benzofuran-3-ol is sourced from PubChem (CID 177451465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).