(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one

C23H16N4O2 — CID 7036488

IUPAC(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C23H16N4O2/c28-21-18-8-4-5-9-20(18)29-22(16-6-2-1-3-7-16)19(21)14-15-10-12-17(13-11-15)23-24-26-27-25-23/h1-14,22H,(H,24,25,26,27)/t22-/m1/s1
InChIKeyQAVWDMZNEFIQHK-JOCHJYFZSA-N
MW380.41 g/mol
LogP4.27
Rot. Bonds3

About (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one

(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one (PubChem CID 7036488) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one.

Molecular Properties

Compound Name(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
PubChem CID7036488
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C23H16N4O2/c28-21-18-8-4-5-9-20(18)29-22(16-6-2-1-3-7-16)19(21)14-15-10-12-17(13-11-15)23-24-26-27-25-23/h1-14,22H,(H,24,25,26,27)/t22-/m1/s1
InChIKeyQAVWDMZNEFIQHK-JOCHJYFZSA-N
XLogP4.27
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(3E)-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
CID 15653148
(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
CID 42066606
(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
(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
CID 838807
3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
CID 2728586
(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
CID 2101188
(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
CID 14068741
(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
CID 6977120
2,2-dimethyl-5-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168598288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one?
The IUPAC name of (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one (CID 7036488) is (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one.
What is the SMILES notation for (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one?
The canonical SMILES for (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one is O=C1C(=Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one?
The InChIKey is QAVWDMZNEFIQHK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-21-18-8-4-5-9-20(18)29-22(16-6-2-1-3-7-16)19(21)14-15-10-12-17(13-11-15)23-24-26-27-25-23/h1-14,22H,(H,24,25,26,27)/t22-/m1/s1.
What are the key properties of (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one?
(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one has a molecular weight of 380.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one is sourced from PubChem (CID 7036488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).