(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one

C23H16O4 — CID 6977119

IUPAC(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C23H16O4/c24-22-17-8-4-5-9-19(17)27-23(16-6-2-1-3-7-16)18(22)12-15-10-11-20-21(13-15)26-14-25-20/h1-13,23H,14H2/b18-12+/t23-/m1/s1
InChIKeyWYGWELPFUYJZON-FUAYJARZSA-N
MW356.38 g/mol
LogP4.82
Rot. Bonds2

About (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one

(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one (PubChem CID 6977119) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one.

Molecular Properties

Compound Name(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
PubChem CID6977119
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C23H16O4/c24-22-17-8-4-5-9-19(17)27-23(16-6-2-1-3-7-16)18(22)12-15-10-11-20-21(13-15)26-14-25-20/h1-13,23H,14H2/b18-12+/t23-/m1/s1
InChIKeyWYGWELPFUYJZON-FUAYJARZSA-N
XLogP4.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.82
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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Frequently Asked Questions

What is the IUPAC name of (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one?
The IUPAC name of (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one (CID 6977119) is (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one.
What is the SMILES notation for (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one?
The canonical SMILES for (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one is O=C1/C(=C\c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one?
The InChIKey is WYGWELPFUYJZON-FUAYJARZSA-N. The full InChI is InChI=1S/C23H16O4/c24-22-17-8-4-5-9-19(17)27-23(16-6-2-1-3-7-16)18(22)12-15-10-11-20-21(13-15)26-14-25-20/h1-13,23H,14H2/b18-12+/t23-/m1/s1.
What are the key properties of (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one?
(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one has a molecular weight of 356.38 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one is sourced from PubChem (CID 6977119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).