(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one

C24H18O4 — CID 7998178

IUPAC(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C/c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C24H18O4/c25-23-18-8-4-5-9-20(18)28-24(17-6-2-1-3-7-17)19(23)14-16-10-11-21-22(15-16)27-13-12-26-21/h1-11,14-15,24H,12-13H2/b19-14-/t24-/m0/s1
InChIKeyFJAZYDKJXAFRRS-CSDGDXGTSA-N
MW370.40 g/mol
LogP4.86
Rot. Bonds2

About (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one

(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one (PubChem CID 7998178) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one.

Molecular Properties

Compound Name(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one
PubChem CID7998178
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C/c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C24H18O4/c25-23-18-8-4-5-9-20(18)28-24(17-6-2-1-3-7-17)19(23)14-16-10-11-21-22(15-16)27-13-12-26-21/h1-11,14-15,24H,12-13H2/b19-14-/t24-/m0/s1
InChIKeyFJAZYDKJXAFRRS-CSDGDXGTSA-N
XLogP4.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977118
(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977119
3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
CID 2802336
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
(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
CID 14068741
(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
CID 838807
(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
CID 2101188
(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
CID 7036488
(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
CID 6977120
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
(3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-4-oxocyclohexane-1-carboxylic acid
CID 167777556

Frequently Asked Questions

What is the IUPAC name of (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one?
The IUPAC name of (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one (CID 7998178) is (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one.
What is the SMILES notation for (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one?
The canonical SMILES for (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one is O=C1/C(=C/c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one?
The InChIKey is FJAZYDKJXAFRRS-CSDGDXGTSA-N. The full InChI is InChI=1S/C24H18O4/c25-23-18-8-4-5-9-20(18)28-24(17-6-2-1-3-7-17)19(23)14-16-10-11-21-22(15-16)27-13-12-26-21/h1-11,14-15,24H,12-13H2/b19-14-/t24-/m0/s1.
What are the key properties of (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one?
(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one has a molecular weight of 370.40 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one is sourced from PubChem (CID 7998178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).