(2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one

C14H10O4 — CID 2007579

IUPAC(2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
InChIInChI=1S/C14H10O4/c1-16-9-4-5-11-12(7-9)18-13(14(11)15)8-10-3-2-6-17-10/h2-8H,1H3/b13-8-
InChIKeyBCSGYHXIQQFWLL-JYRVWZFOSA-N
MW242.23 g/mol
LogP2.90
Rot. Bonds2

About (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one

(2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one (PubChem CID 2007579) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one
PubChem CID2007579
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name(2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
InChIInChI=1S/C14H10O4/c1-16-9-4-5-11-12(7-9)18-13(14(11)15)8-10-3-2-6-17-10/h2-8H,1H3/b13-8-
InChIKeyBCSGYHXIQQFWLL-JYRVWZFOSA-N
XLogP2.90
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 4114
CID 4114
CID 2355
CID 2355
CID 6199
CID 6199
CID 68081
CID 68081
CID 5282219
CID 5282219
CID 88881
CID 88881
CID 68082
CID 68082
CID 5471349
CID 5471349
CID 8395
CID 8395
CID 6716
CID 6716
CID 79730
CID 79730
CID 100633
CID 100633

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one (CID 2007579) is (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one is COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O.
What is the InChIKey of (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one?
The InChIKey is BCSGYHXIQQFWLL-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H10O4/c1-16-9-4-5-11-12(7-9)18-13(14(11)15)8-10-3-2-6-17-10/h2-8H,1H3/b13-8-.
What are the key properties of (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one?
(2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one has a molecular weight of 242.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 2007579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).