(5E)-5-[(4-chlorophenyl)methylidene]furan-2-one

C11H7ClO2 — CID 13415930

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]furan-2-one
SMILESO=C1C=C/C(=C\c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H7ClO2/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-7H/b10-7+
InChIKeyYOWOWYMMBHNBFF-JXMROGBWSA-N
MW206.63 g/mol
LogP2.79
Rot. Bonds1

About (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one

(5E)-5-[(4-chlorophenyl)methylidene]furan-2-one (PubChem CID 13415930) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]furan-2-one
PubChem CID13415930
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]furan-2-one
SMILESO=C1C=C/C(=C\c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H7ClO2/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-7H/b10-7+
InChIKeyYOWOWYMMBHNBFF-JXMROGBWSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one (CID 13415930) is (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one is O=C1C=C/C(=C\c2ccc(Cl)cc2)O1.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one?
The InChIKey is YOWOWYMMBHNBFF-JXMROGBWSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-7H/b10-7+.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one?
(5E)-5-[(4-chlorophenyl)methylidene]furan-2-one has a molecular weight of 206.63 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]furan-2-one is sourced from PubChem (CID 13415930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).