(3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one

C15H12O3 — CID 101386622

IUPAC(3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one
SMILESC/C(=C1\COc2ccccc2C1=O)c1ccco1
InChIInChI=1S/C15H12O3/c1-10(13-7-4-8-17-13)12-9-18-14-6-3-2-5-11(14)15(12)16/h2-8H,9H2,1H3/b12-10-
InChIKeyUMRALJSWUOHZBO-BENRWUELSA-N
MW240.26 g/mol
LogP3.33
Rot. Bonds1

About (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one

(3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one (PubChem CID 101386622) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one.

Molecular Properties

Compound Name(3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one
PubChem CID101386622
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one
SMILESC/C(=C1\COc2ccccc2C1=O)c1ccco1
InChIInChI=1S/C15H12O3/c1-10(13-7-4-8-17-13)12-9-18-14-6-3-2-5-11(14)15(12)16/h2-8H,9H2,1H3/b12-10-
InChIKeyUMRALJSWUOHZBO-BENRWUELSA-N
XLogP3.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one?
The IUPAC name of (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one (CID 101386622) is (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one.
What is the SMILES notation for (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one?
The canonical SMILES for (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one is C/C(=C1\COc2ccccc2C1=O)c1ccco1.
What is the InChIKey of (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one?
The InChIKey is UMRALJSWUOHZBO-BENRWUELSA-N. The full InChI is InChI=1S/C15H12O3/c1-10(13-7-4-8-17-13)12-9-18-14-6-3-2-5-11(14)15(12)16/h2-8H,9H2,1H3/b12-10-.
What are the key properties of (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one?
(3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one has a molecular weight of 240.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one is sourced from PubChem (CID 101386622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).