(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one

C20H14O3 — CID 838807

IUPAC(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2ccco2)[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H14O3/c21-19-16-10-4-5-11-18(16)23-20(14-7-2-1-3-8-14)17(19)13-15-9-6-12-22-15/h1-13,20H/b17-13+/t20-/m0/s1
InChIKeyXTMGRNIXXUJHEV-NXNYUAIASA-N
MW302.33 g/mol
LogP4.68
Rot. Bonds2

About (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one

(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one (PubChem CID 838807) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one.

Molecular Properties

Compound Name(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
PubChem CID838807
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2ccco2)[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H14O3/c21-19-16-10-4-5-11-18(16)23-20(14-7-2-1-3-8-14)17(19)13-15-9-6-12-22-15/h1-13,20H/b17-13+/t20-/m0/s1
InChIKeyXTMGRNIXXUJHEV-NXNYUAIASA-N
XLogP4.68
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.68
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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Related Compounds

3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
CID 2802336
(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
CID 2101188
2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one
CID 2802342
(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
CID 42066606
(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
CID 6977120
(2S,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977118
(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one
CID 7998178
(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977119
(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
CID 7036488
(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
CID 14068741
(3Z)-3-[(octylamino)methylidene]-2-phenylchromen-4-one
CID 50917564
2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one
CID 2765423

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one?
The IUPAC name of (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one (CID 838807) is (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one.
What is the SMILES notation for (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one?
The canonical SMILES for (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one is O=C1/C(=C\c2ccco2)[C@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one?
The InChIKey is XTMGRNIXXUJHEV-NXNYUAIASA-N. The full InChI is InChI=1S/C20H14O3/c21-19-16-10-4-5-11-18(16)23-20(14-7-2-1-3-8-14)17(19)13-15-9-6-12-22-15/h1-13,20H/b17-13+/t20-/m0/s1.
What are the key properties of (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one?
(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one has a molecular weight of 302.33 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one is sourced from PubChem (CID 838807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).