(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one

C22H14Br2O2 — CID 42066606

IUPAC(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
SMILESO=C1/C(=C\c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)Oc2ccccc21
InChIInChI=1S/C22H14Br2O2/c23-16-9-5-14(6-10-16)13-19-21(25)18-3-1-2-4-20(18)26-22(19)15-7-11-17(24)12-8-15/h1-13,22H/b19-13+/t22-/m1/s1
InChIKeySJSXTEUBZXVCLW-OOIVEFLKSA-N
MW470.16 g/mol
LogP6.61
Rot. Bonds2

About (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one

(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one (PubChem CID 42066606) has the molecular formula C22H14Br2O2 and a molecular weight of 470.16 g/mol. Its IUPAC name is (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
PubChem CID42066606
Molecular FormulaC22H14Br2O2
Molecular Weight470.16 g/mol
Exact Mass467.94
IUPAC Name(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
SMILESO=C1/C(=C\c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)Oc2ccccc21
InChIInChI=1S/C22H14Br2O2/c23-16-9-5-14(6-10-16)13-19-21(25)18-3-1-2-4-20(18)26-22(19)15-7-11-17(24)12-8-15/h1-13,22H/b19-13+/t22-/m1/s1
InChIKeySJSXTEUBZXVCLW-OOIVEFLKSA-N
XLogP6.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.16
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one?
The IUPAC name of (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one (CID 42066606) is (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one.
What is the SMILES notation for (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one?
The canonical SMILES for (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one is O=C1/C(=C\c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)Oc2ccccc21.
What is the InChIKey of (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one?
The InChIKey is SJSXTEUBZXVCLW-OOIVEFLKSA-N. The full InChI is InChI=1S/C22H14Br2O2/c23-16-9-5-14(6-10-16)13-19-21(25)18-3-1-2-4-20(18)26-22(19)15-7-11-17(24)12-8-15/h1-13,22H/b19-13+/t22-/m1/s1.
What are the key properties of (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one?
(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one has a molecular weight of 470.16 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one is sourced from PubChem (CID 42066606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).