(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one

C24H17NO2 — CID 6977120

IUPAC(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2c[nH]c3ccccc23)[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C24H17NO2/c26-23-19-11-5-7-13-22(19)27-24(16-8-2-1-3-9-16)20(23)14-17-15-25-21-12-6-4-10-18(17)21/h1-15,24-25H/b20-14+/t24-/m0/s1
InChIKeyXOEGOPOWDZTUJJ-VEWQMQJVSA-N
MW351.41 g/mol
LogP5.57
Rot. Bonds2

About (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one

(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one (PubChem CID 6977120) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one.

Molecular Properties

Compound Name(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
PubChem CID6977120
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC Name(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
SMILESO=C1/C(=C\c2c[nH]c3ccccc23)[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C24H17NO2/c26-23-19-11-5-7-13-22(19)27-24(16-8-2-1-3-9-16)20(23)14-17-15-25-21-12-6-4-10-18(17)21/h1-15,24-25H/b20-14+/t24-/m0/s1
InChIKeyXOEGOPOWDZTUJJ-VEWQMQJVSA-N
XLogP5.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
CID 42066606
(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-[(octylamino)methylidene]-2-phenylchromen-4-one
CID 50917564
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
CID 716705
(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
CID 36690022
(2Z)-2-(1H-indol-3-ylmethylidene)-4-methoxy-1-benzofuran-3-one
CID 68557099
(3E)-2-(4-tert-butylphenyl)-3-ethylidene-1-benzofuran
CID 162418814
(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 58923919
4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
CID 91600485

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one?
The IUPAC name of (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one (CID 6977120) is (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one.
What is the SMILES notation for (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one?
The canonical SMILES for (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one is O=C1/C(=C\c2c[nH]c3ccccc23)[C@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one?
The InChIKey is XOEGOPOWDZTUJJ-VEWQMQJVSA-N. The full InChI is InChI=1S/C24H17NO2/c26-23-19-11-5-7-13-22(19)27-24(16-8-2-1-3-9-16)20(23)14-17-15-25-21-12-6-4-10-18(17)21/h1-15,24-25H/b20-14+/t24-/m0/s1.
What are the key properties of (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one?
(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one has a molecular weight of 351.41 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one is sourced from PubChem (CID 6977120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).